N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide

C16H31N3O — CID 79161718

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide
SMILESCCC1CCC(CN)(N(CC)C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-14-7-9-16(13-17,10-8-14)19(4-2)15(20)18-11-5-6-12-18/h14H,3-13,17H2,1-2H3
InChIKeyUHBJTEYIENROMA-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.82
Rot. Bonds4

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide (PubChem CID 79161718) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide
PubChem CID79161718
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide
SMILESCCC1CCC(CN)(N(CC)C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-14-7-9-16(13-17,10-8-14)19(4-2)15(20)18-11-5-6-12-18/h14H,3-13,17H2,1-2H3
InChIKeyUHBJTEYIENROMA-UHFFFAOYSA-N
XLogP2.82
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide
CID 79157486
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide
CID 62009820
2-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
CID 65052797
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide
CID 62008117
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62008910
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64990033
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide
CID 62008114
N-[1-(aminomethyl)cyclohexyl]-N-methylpiperidine-1-carboxamide
CID 79155705
1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea
CID 116658154
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide
CID 62008317

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide (CID 79161718) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide is CCC1CCC(CN)(N(CC)C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is UHBJTEYIENROMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-14-7-9-16(13-17,10-8-14)19(4-2)15(20)18-11-5-6-12-18/h14H,3-13,17H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 79161718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).