1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide

C15H22N2O — CID 115182510

IUPAC1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)Cc1ccc(NC(=O)C2(CN)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-11(2)9-12-3-5-13(6-4-12)17-14(18)15(10-16)7-8-15/h3-6,11H,7-10,16H2,1-2H3,(H,17,18)
InChIKeyRVZJDLWRPNFNGQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.56
Rot. Bonds5

About 1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 115182510) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide
PubChem CID115182510
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)Cc1ccc(NC(=O)C2(CN)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-11(2)9-12-3-5-13(6-4-12)17-14(18)15(10-16)7-8-15/h3-6,11H,7-10,16H2,1-2H3,(H,17,18)
InChIKeyRVZJDLWRPNFNGQ-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
CID 115452592
2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid
CID 115453529
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
1-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid
CID 115242698
1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 115452621
1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685728
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
3-amino-2-hydroxy-N-[4-(2-methylpropyl)phenyl]propanamide
CID 115180236
[4-(2-methylpropyl)phenyl]carbamothioic S-acid
CID 115169658
N-[4-(2-methylpropyl)phenyl]carbamoyl chloride
CID 115194334
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide (CID 115182510) is 1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide is CC(C)Cc1ccc(NC(=O)C2(CN)CC2)cc1.
What is the InChIKey of 1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is RVZJDLWRPNFNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)9-12-3-5-13(6-4-12)17-14(18)15(10-16)7-8-15/h3-6,11H,7-10,16H2,1-2H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115182510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).