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

C15H31N3O — CID 102992877

IUPAC4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
SMILESCCN(CCCN(C)C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H31N3O/c1-4-18(11-5-10-17(2)3)15(19)14-8-6-13(12-16)7-9-14/h13-14H,4-12,16H2,1-3H3
InChIKeyQUDXIGIACZQIRF-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.55
Rot. Bonds7

About 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide

4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide (PubChem CID 102992877) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
PubChem CID102992877
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
SMILESCCN(CCCN(C)C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H31N3O/c1-4-18(11-5-10-17(2)3)15(19)14-8-6-13(12-16)7-9-14/h13-14H,4-12,16H2,1-3H3
InChIKeyQUDXIGIACZQIRF-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

3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102998102
4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide
CID 81489650
N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide
CID 61349316
4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62806413
3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 102995766
4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
CID 79510877
4-(aminomethyl)-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
CID 62808177
N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide
CID 115771846
4-[cyclopropylmethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63955071
N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide
CID 102992833
4-amino-N,N-dipentylcyclohexane-1-carboxamide
CID 60947028
2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63725529

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide (CID 102992877) is 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide is CCN(CCCN(C)C)C(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide?
The InChIKey is QUDXIGIACZQIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-18(11-5-10-17(2)3)15(19)14-8-6-13(12-16)7-9-14/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide?
4-(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 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102992877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).