ethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine

C16H27N2P — CID 144910612

IUPACethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine
SMILESC=C/C=C(\C(=C)N(C)P)c1ccccc1.CC.CN
InChIInChI=1S/C13H16NP.C2H6.CH5N/c1-4-8-13(11(2)14(3)15)12-9-6-5-7-10-12;2*1-2/h4-10H,1-2,15H2,3H3;1-2H3;2H2,1H3/b13-8+;;
InChIKeyDRHPDTFGPTVBMW-LIYVDSPJSA-N
MW278.38 g/mol
LogP4.09
Rot. Bonds4

About ethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine

ethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine (PubChem CID 144910612) has the molecular formula C16H27N2P and a molecular weight of 278.38 g/mol. Its IUPAC name is ethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Nameethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine
PubChem CID144910612
Molecular FormulaC16H27N2P
Molecular Weight278.38 g/mol
Exact Mass278.19
IUPAC Nameethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine
SMILESC=C/C=C(\C(=C)N(C)P)c1ccccc1.CC.CN
InChIInChI=1S/C13H16NP.C2H6.CH5N/c1-4-8-13(11(2)14(3)15)12-9-6-5-7-10-12;2*1-2/h4-10H,1-2,15H2,3H3;1-2H3;2H2,1H3/b13-8+;;
InChIKeyDRHPDTFGPTVBMW-LIYVDSPJSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 145315287
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CID 89298001
methyl (2E)-2-phenylpenta-2,4-dienoate
CID 102389363
methyl 2-phenylpenta-2,4-dienoate
CID 73023142
[(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene
CID 142040611
2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one
CID 173287666
ethane;[(3E)-hexa-1,3,5-trien-3-yl]benzene;molecular hydrogen
CID 142347036
ethane;molecular hydrogen;1-phenylethenamine
CID 156816097
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
2-(dimethylamino)-1-phenylprop-2-ene-1-thione
CID 88692044
(1Z)-1-phenylbuta-1,3-diene-1-thiol
CID 11193677
ethenamine;prop-1-en-2-ylbenzene
CID 172805831

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine?
The IUPAC name of ethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine (CID 144910612) is ethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for ethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine?
The canonical SMILES for ethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine is C=C/C=C(\C(=C)N(C)P)c1ccccc1.CC.CN.
What is the InChIKey of ethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine?
The InChIKey is DRHPDTFGPTVBMW-LIYVDSPJSA-N. The full InChI is InChI=1S/C13H16NP.C2H6.CH5N/c1-4-8-13(11(2)14(3)15)12-9-6-5-7-10-12;2*1-2/h4-10H,1-2,15H2,3H3;1-2H3;2H2,1H3/b13-8+;;.
What are the key properties of ethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine?
ethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine has a molecular weight of 278.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 144910612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).