1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide

C15H28N2O — CID 113312745

IUPAC1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)C1CCCCC1NC(=O)C1(CN)CC1
InChIInChI=1S/C15H28N2O/c1-14(2,3)11-6-4-5-7-12(11)17-13(18)15(10-16)8-9-15/h11-12H,4-10,16H2,1-3H3,(H,17,18)
InChIKeyMAXFLODAVFQGLJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.45
Rot. Bonds3

About 1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide (PubChem CID 113312745) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide
PubChem CID113312745
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)C1CCCCC1NC(=O)C1(CN)CC1
InChIInChI=1S/C15H28N2O/c1-14(2,3)11-6-4-5-7-12(11)17-13(18)15(10-16)8-9-15/h11-12H,4-10,16H2,1-3H3,(H,17,18)
InChIKeyMAXFLODAVFQGLJ-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
CID 107221619
3-amino-N-(2-tert-butylcyclohexyl)oxolane-3-carboxamide
CID 64891907
1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclopropane-1-carboxamide
CID 82725766
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide
CID 80598202
1-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]cyclopentane-1-carboxamide
CID 103811415
N-(2-tert-butylcyclohexyl)cyclobutanecarboxamide
CID 6466635
2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride
CID 119285417
1-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)cyclopropane-1-carboxamide
CID 80597965
2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide
CID 43699363
1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide
CID 82726373
1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide
CID 63996093
(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide
CID 61174579

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide (CID 113312745) is 1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide is CC(C)(C)C1CCCCC1NC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide?
The InChIKey is MAXFLODAVFQGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14(2,3)11-6-4-5-7-12(11)17-13(18)15(10-16)8-9-15/h11-12H,4-10,16H2,1-3H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113312745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).