3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide

C15H31N3O — CID 102998102

IUPAC3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
SMILESCCN(CCCN(C)C)C(=O)C1CCCC(CN)C1
InChIInChI=1S/C15H31N3O/c1-4-18(10-6-9-17(2)3)15(19)14-8-5-7-13(11-14)12-16/h13-14H,4-12,16H2,1-3H3
InChIKeyGPXOVGOVAWIIPT-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.55
Rot. Bonds7

About 3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide

3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide (PubChem CID 102998102) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
PubChem CID102998102
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
SMILESCCN(CCCN(C)C)C(=O)C1CCCC(CN)C1
InChIInChI=1S/C15H31N3O/c1-4-18(10-6-9-17(2)3)15(19)14-8-5-7-13(11-14)12-16/h13-14H,4-12,16H2,1-3H3
InChIKeyGPXOVGOVAWIIPT-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
CID 62907
Isostearamidopropyl Dimethylamine
CID 105621
N-butylcyclohexanecarboxamide
CID 3544722
3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide
CID 2582372
(1R,5S)-N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 71682975
Ethyl menthane carboxamide, (1R,3R,4S)-
CID 7168187
Valeramide, N-(3-(dimethylamino)propyl)-2-propyl-
CID 201023
4-amino-N,N-dimethylcyclohexane-1-carboxamide
CID 57709631
1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide
CID 11339245
N-[3-(4-methylpiperidin-1-yl)propyl]cyclohexanecarboxamide
CID 45850479
N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanecarboxamide
CID 53515208
(3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide
CID 97046606

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide (CID 102998102) is 3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide is CCN(CCCN(C)C)C(=O)C1CCCC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide?
The InChIKey is GPXOVGOVAWIIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-18(10-6-9-17(2)3)15(19)14-8-5-7-13(11-14)12-16/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide?
3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102998102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).