ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine

C59H117N6OP3 — CID 158973227

IUPACethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine
SMILESC.CC.CC.CC.CC.CC.CC.CC(=O)Cc1ccccc1.CC(Cc1ccccc1)N(C)CC1CCN(P)CC1.CC(Cc1ccccc1)NCC1CCN(P)CC1.NCC1CCN(P)CC1
InChIInChI=1S/C16H27N2P.C15H25N2P.C9H10O.C6H15N2P.6C2H6.CH4/c1-14(12-15-6-4-3-5-7-15)17(2)13-16-8-10-18(19)11-9-16;1-13(11-14-5-3-2-4-6-14)16-12-15-7-9-17(18)10-8-15;1-8(10)7-9-5-3-2-4-6-9;7-5-6-1-3-8(9)4-2-6;6*1-2;/h3-7,14,16H,8-13,19H2,1-2H3;2-6,13,15-16H,7-12,18H2,1H3;2-6H,7H2,1H3;6H,1-5,7,9H2;6*1-2H3;1H4
InChIKeyJOBOKLGXWLTIKO-UHFFFAOYSA-N
MW1019.55 g/mol
LogP14.82
Rot. Bonds13

About ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine

ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine (PubChem CID 158973227) has the molecular formula C59H117N6OP3 and a molecular weight of 1019.55 g/mol. Its IUPAC name is ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Nameethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine
PubChem CID158973227
Molecular FormulaC59H117N6OP3
Molecular Weight1019.55 g/mol
Exact Mass1018.85
IUPAC Nameethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine
SMILESC.CC.CC.CC.CC.CC.CC.CC(=O)Cc1ccccc1.CC(Cc1ccccc1)N(C)CC1CCN(P)CC1.CC(Cc1ccccc1)NCC1CCN(P)CC1.NCC1CCN(P)CC1
InChIInChI=1S/C16H27N2P.C15H25N2P.C9H10O.C6H15N2P.6C2H6.CH4/c1-14(12-15-6-4-3-5-7-15)17(2)13-16-8-10-18(19)11-9-16;1-13(11-14-5-3-2-4-6-14)16-12-15-7-9-17(18)10-8-15;1-8(10)7-9-5-3-2-4-6-9;7-5-6-1-3-8(9)4-2-6;6*1-2;/h3-7,14,16H,8-13,19H2,1-2H3;2-6,13,15-16H,7-12,18H2,1H3;2-6H,7H2,1H3;6H,1-5,7,9H2;6*1-2H3;1H4
InChIKeyJOBOKLGXWLTIKO-UHFFFAOYSA-N
XLogP14.82
TPSA68.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.55
LogP ≤ 514.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine with MolForge

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Related Compounds

ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 90770756
chloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate
CID 20706309
ethane;N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylpropan-2-amine;N-methyl-1-sulfonylmethanamine
CID 90743566
N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099
1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one
CID 119423610
benzyl 4-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 66569243
4-(aminomethyl)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 14837094
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236552
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-phenyl-2-sulfanylpropan-1-one
CID 107026032
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701

Frequently Asked Questions

What is the IUPAC name of ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine?
The IUPAC name of ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine (CID 158973227) is ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine.
What is the SMILES notation for ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine?
The canonical SMILES for ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine is C.CC.CC.CC.CC.CC.CC.CC(=O)Cc1ccccc1.CC(Cc1ccccc1)N(C)CC1CCN(P)CC1.CC(Cc1ccccc1)NCC1CCN(P)CC1.NCC1CCN(P)CC1.
What is the InChIKey of ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine?
The InChIKey is JOBOKLGXWLTIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N2P.C15H25N2P.C9H10O.C6H15N2P.6C2H6.CH4/c1-14(12-15-6-4-3-5-7-15)17(2)13-16-8-10-18(19)11-9-16;1-13(11-14-5-3-2-4-6-14)16-12-15-7-9-17(18)10-8-15;1-8(10)7-9-5-3-2-4-6-9;7-5-6-1-3-8(9)4-2-6;6*1-2;/h3-7,14,16H,8-13,19H2,1-2H3;2-6,13,15-16H,7-12,18H2,1H3;2-6H,7H2,1H3;6H,1-5,7,9H2;6*1-2H3;1H4.
What are the key properties of ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine?
ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine has a molecular weight of 1019.55 g/mol, XLogP of 14.82, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine is sourced from PubChem (CID 158973227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).