1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide

C16H24N2O — CID 115182511

IUPAC1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C(C)(C)C)cc1NC(=O)C1(CN)CC1
InChIInChI=1S/C16H24N2O/c1-11-5-6-12(15(2,3)4)9-13(11)18-14(19)16(10-17)7-8-16/h5-6,9H,7-8,10,17H2,1-4H3,(H,18,19)
InChIKeyLATBNVCDTQBUIG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.97
Rot. Bonds3

About 1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 115182511) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID115182511
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C(C)(C)C)cc1NC(=O)C1(CN)CC1
InChIInChI=1S/C16H24N2O/c1-11-5-6-12(15(2,3)4)9-13(11)18-14(19)16(10-17)7-8-16/h5-6,9H,7-8,10,17H2,1-4H3,(H,18,19)
InChIKeyLATBNVCDTQBUIG-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylbenzoic acid
CID 115447773
1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 115452348
1-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674013
1-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 106954286
methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride
CID 119678118
1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 115182516
2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid
CID 115453529
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline
CID 115245575
1-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 115452709
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide
CID 159844631

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide (CID 115182511) is 1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide is Cc1ccc(C(C)(C)C)cc1NC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is LATBNVCDTQBUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-5-6-12(15(2,3)4)9-13(11)18-14(19)16(10-17)7-8-16/h5-6,9H,7-8,10,17H2,1-4H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115182511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).