4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide

C16H31N3O — CID 79313305

IUPAC4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C16H31N3O/c1-3-19-10-4-5-15(19)12-18(2)16(20)14-8-6-13(11-17)7-9-14/h13-15H,3-12,17H2,1-2H3
InChIKeyCHJJOKFKWBTLJY-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.69
Rot. Bonds5

About 4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide

4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 79313305) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID79313305
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C16H31N3O/c1-3-19-10-4-5-15(19)12-18(2)16(20)14-8-6-13(11-17)7-9-14/h13-15H,3-12,17H2,1-2H3
InChIKeyCHJJOKFKWBTLJY-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide
CID 124671626
(2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxolane-2-carboxamide;dihydrochloride
CID 120800269
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 113248160
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 79465871
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylcyclohexane-1-carboxamide
CID 79312799
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride
CID 119882077
2-(aminomethyl)-2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbutanamide
CID 79314285
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 79313592
4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62806413
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81169352
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,6-dimethylpiperidine-2-carboxamide
CID 79319501

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide (CID 79313305) is 4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide is CCN1CCCC1CN(C)C(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is CHJJOKFKWBTLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-19-10-4-5-15(19)12-18(2)16(20)14-8-6-13(11-17)7-9-14/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 79313305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).