1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide

C18H26N2O — CID 119315839

IUPAC1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
SMILESCc1ccccc1C1(CNC(=O)C2(N)CCCCC2)CC1
InChIInChI=1S/C18H26N2O/c1-14-7-3-4-8-15(14)17(11-12-17)13-20-16(21)18(19)9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-13,19H2,1H3,(H,20,21)
InChIKeyYGMAVJLFADZLOM-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.80
Rot. Bonds4

About 1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide

1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide (PubChem CID 119315839) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
PubChem CID119315839
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
SMILESCc1ccccc1C1(CNC(=O)C2(N)CCCCC2)CC1
InChIInChI=1S/C18H26N2O/c1-14-7-3-4-8-15(14)17(11-12-17)13-20-16(21)18(19)9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-13,19H2,1H3,(H,20,21)
InChIKeyYGMAVJLFADZLOM-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 110922755
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride
CID 120500104
2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide
CID 52910224
4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120629984
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine
CID 62596949
2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110928186
2-(4-aminophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 119749794
1-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317240
1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119308087

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide (CID 119315839) is 1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide is Cc1ccccc1C1(CNC(=O)C2(N)CCCCC2)CC1.
What is the InChIKey of 1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is YGMAVJLFADZLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-7-3-4-8-15(14)17(11-12-17)13-20-16(21)18(19)9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-13,19H2,1H3,(H,20,21).
What are the key properties of 1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide?
1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119315839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).