4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide

C14H26N2O — CID 79527619

IUPAC4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide
SMILESCC(C1CC1)N(C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H26N2O/c1-10(12-7-8-12)16(2)14(17)13-5-3-11(9-15)4-6-13/h10-13H,3-9,15H2,1-2H3
InChIKeyOXVPVKDZBHFRQG-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.01
Rot. Bonds4

About 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide

4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 79527619) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide
PubChem CID79527619
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide
SMILESCC(C1CC1)N(C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H26N2O/c1-10(12-7-8-12)16(2)14(17)13-5-3-11(9-15)4-6-13/h10-13H,3-9,15H2,1-2H3
InChIKeyOXVPVKDZBHFRQG-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-N-methylcyclopropanecarboxamide
CID 52519617
4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782964
N-[(1S)-1-cyclopropylethyl]-N-methylcyclopentanecarboxamide
CID 52522891
3-amino-N-(1-cyclopropylethyl)-N-methylcyclopentane-1-carboxamide
CID 66032087
4-(aminomethyl)-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
CID 62808177
4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
CID 79510877
4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 79527109
4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62806413
1-(1-cyclopropylethyl)-1-methylurea
CID 43420591
4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 62806942
2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511437
3-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 83618379

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide (CID 79527619) is 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide is CC(C1CC1)N(C)C(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is OXVPVKDZBHFRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10(12-7-8-12)16(2)14(17)13-5-3-11(9-15)4-6-13/h10-13H,3-9,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 79527619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).