4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide

C14H27N3O2 — CID 62808378

IUPAC4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H27N3O2/c1-3-8-16-13(18)10-17(2)14(19)12-6-4-11(9-15)5-7-12/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyFMUBTKHFAQIBBR-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.74
Rot. Bonds6

About 4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 62808378) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID62808378
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H27N3O2/c1-3-8-16-13(18)10-17(2)14(19)12-6-4-11(9-15)5-7-12/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyFMUBTKHFAQIBBR-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 55116667
4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62806413
N-methyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 54868907
4-amino-N,2-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62781743
2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62776844
N-methyl-6-oxo-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 112728459
4-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 60846741
cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93377032
5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688076
N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-carboxamide
CID 55230155
2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide
CID 61453015
N,3-dimethyl-N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-2-carboxamide
CID 102778464

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide (CID 62808378) is 4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide is CCCNC(=O)CN(C)C(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is FMUBTKHFAQIBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-8-16-13(18)10-17(2)14(19)12-6-4-11(9-15)5-7-12/h11-12H,3-10,15H2,1-2H3,(H,16,18).
What are the key properties of 4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62808378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).