1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide

C17H20N2O — CID 115182653

IUPAC1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc2cc(N(C)C(=O)C3(CN)CC3)ccc2c1
InChIInChI=1S/C17H20N2O/c1-12-3-4-14-10-15(6-5-13(14)9-12)19(2)16(20)17(11-18)7-8-17/h3-6,9-10H,7-8,11,18H2,1-2H3
InChIKeyCVRJHQRKAZODDC-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.85
Rot. Bonds3

About 1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide (PubChem CID 115182653) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide
PubChem CID115182653
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc2cc(N(C)C(=O)C3(CN)CC3)ccc2c1
InChIInChI=1S/C17H20N2O/c1-12-3-4-14-10-15(6-5-13(14)9-12)19(2)16(20)17(11-18)7-8-17/h3-6,9-10H,7-8,11,18H2,1-2H3
InChIKeyCVRJHQRKAZODDC-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182580
1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119943411
1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182589
4-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]benzoic acid
CID 104698752
1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide
CID 115182634
3-amino-1-methyl-1-(6-methylnaphthalen-2-yl)urea
CID 115192582
3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide
CID 115185610
N-methyl-1-(methylaminomethyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 115182934
N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide
CID 115167807
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,6-dimethylnaphthalen-2-amine
CID 115245749
2-(ethylamino)-N-methyl-N-(6-methylnaphthalen-2-yl)acetamide
CID 115157845
1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182616

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide (CID 115182653) is 1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide is Cc1ccc2cc(N(C)C(=O)C3(CN)CC3)ccc2c1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide?
The InChIKey is CVRJHQRKAZODDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-3-4-14-10-15(6-5-13(14)9-12)19(2)16(20)17(11-18)7-8-17/h3-6,9-10H,7-8,11,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115182653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).