[2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine

C12H17N — CID 54775976

IUPAC[2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine
SMILESCc1ccccc1C1(C)CC1CN
InChIInChI=1S/C12H17N/c1-9-5-3-4-6-11(9)12(2)7-10(12)8-13/h3-6,10H,7-8,13H2,1-2H3
InChIKeyWEJVLJHDNQSLPU-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.23
Rot. Bonds2

About [2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine

[2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine (PubChem CID 54775976) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is [2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine
PubChem CID54775976
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name[2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine
SMILESCc1ccccc1C1(C)CC1CN
InChIInChI=1S/C12H17N/c1-9-5-3-4-6-11(9)12(2)7-10(12)8-13/h3-6,10H,7-8,13H2,1-2H3
InChIKeyWEJVLJHDNQSLPU-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of [2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine (CID 54775976) is [2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine is Cc1ccccc1C1(C)CC1CN.
What is the InChIKey of [2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine?
The InChIKey is WEJVLJHDNQSLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-5-3-4-6-11(9)12(2)7-10(12)8-13/h3-6,10H,7-8,13H2,1-2H3.
What are the key properties of [2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine?
[2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine has a molecular weight of 175.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 54775976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).