1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide

C15H29N3O2 — CID 115442026

IUPAC1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide
SMILESCCCNC(=O)CCNC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H29N3O2/c1-3-9-17-13(19)6-10-18-14(20)15(11-16)7-4-12(2)5-8-15/h12H,3-11,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRUQSQIPRZJQWDW-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.17
Rot. Bonds7

About 1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide

1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide (PubChem CID 115442026) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide
PubChem CID115442026
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide
SMILESCCCNC(=O)CCNC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H29N3O2/c1-3-9-17-13(19)6-10-18-14(20)15(11-16)7-4-12(2)5-8-15/h12H,3-11,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRUQSQIPRZJQWDW-UHFFFAOYSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]heptanoic acid
CID 115441839
6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 115441822
1-(aminomethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 113310520
1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide
CID 113310530
1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106222021
1-(aminomethyl)-N-[4-(dimethylamino)butyl]-4-methylcyclohexane-1-carboxamide
CID 115442031
1-[1-(aminomethyl)-4-methylcyclohexyl]butan-1-one
CID 116604029
1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide
CID 113310485
1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
CID 80587363
1-amino-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301742
1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide
CID 106427662
(2S)-3-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-hydroxypropanoic acid
CID 107835899

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide (CID 115442026) is 1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide is CCCNC(=O)CCNC(=O)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide?
The InChIKey is RUQSQIPRZJQWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-9-17-13(19)6-10-18-14(20)15(11-16)7-4-12(2)5-8-15/h12H,3-11,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115442026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).