ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone

C13H30N2O — CID 166152008

IUPACethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
SMILESCC.CCCC1CCN(C(C)=O)CC1.CN
InChIInChI=1S/C10H19NO.C2H6.CH5N/c1-3-4-10-5-7-11(8-6-10)9(2)12;2*1-2/h10H,3-8H2,1-2H3;1-2H3;2H2,1H3
InChIKeyDLYGPGNGHLEVPD-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.65
Rot. Bonds2

About ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone

ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone (PubChem CID 166152008) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
PubChem CID166152008
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Nameethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
SMILESCC.CCCC1CCN(C(C)=O)CC1.CN
InChIInChI=1S/C10H19NO.C2H6.CH5N/c1-3-4-10-5-7-11(8-6-10)9(2)12;2*1-2/h10H,3-8H2,1-2H3;1-2H3;2H2,1H3
InChIKeyDLYGPGNGHLEVPD-UHFFFAOYSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374
1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone
CID 43224264
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424
2-hydroxy-1-(4-propylpiperidin-1-yl)ethanone
CID 143775534
(1-aminocyclopropyl)-(4-propylpiperidin-1-yl)methanone
CID 65466440
1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103
1-(4-aminopiperidin-1-yl)ethanone;pentane
CID 142969821
2-amino-2-cyclopropyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 55050370
(1-acetylpiperidin-4-yl)methanesulfonamide
CID 130657862
ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone
CID 143082377
2,3-dimethyl-4-oxo-4-(4-propylazepan-1-yl)but-2-enoic acid
CID 77024575
N'-hydroxy-4-propylpiperidine-1-carboximidamide
CID 62483528

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone?
The IUPAC name of ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone (CID 166152008) is ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone.
What is the SMILES notation for ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone?
The canonical SMILES for ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone is CC.CCCC1CCN(C(C)=O)CC1.CN.
What is the InChIKey of ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone?
The InChIKey is DLYGPGNGHLEVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6.CH5N/c1-3-4-10-5-7-11(8-6-10)9(2)12;2*1-2/h10H,3-8H2,1-2H3;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone?
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone has a molecular weight of 230.40 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone is sourced from PubChem (CID 166152008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).