1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide

C16H30N2O — CID 115441989

IUPAC1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(CC2CC2)C(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-12(2)18(10-14-4-5-14)15(19)16(11-17)8-6-13(3)7-9-16/h12-14H,4-11,17H2,1-3H3
InChIKeyPGENDWVCHLATIR-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.79
Rot. Bonds5

About 1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 115441989) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID115441989
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(CC2CC2)C(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-12(2)18(10-14-4-5-14)15(19)16(11-17)8-6-13(3)7-9-16/h12-14H,4-11,17H2,1-3H3
InChIKeyPGENDWVCHLATIR-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(cyclopropylmethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 65465577
1-(aminomethyl)-N-(1-cyclopropylethyl)-N,4-dimethylcyclohexane-1-carboxamide
CID 115441526
1-amino-N-(cyclopropylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 55000242
1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide
CID 115441735
1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide
CID 115441467
1-(aminomethyl)-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 106915364
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 113310523
1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide
CID 60783158
N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 80596878
1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide
CID 115441343
1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide
CID 115441330
1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 115441782

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide (CID 115441989) is 1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)N(CC2CC2)C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is PGENDWVCHLATIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(2)18(10-14-4-5-14)15(19)16(11-17)8-6-13(3)7-9-16/h12-14H,4-11,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 115441989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).