N-methyl-N-(6-methylheptan-2-yl)cyclopropanamine

C12H25N — CID 27734

IUPACN-methyl-N-(6-methylheptan-2-yl)cyclopropanamine
SMILESCC(C)CCCC(C)N(C)C1CC1
InChIInChI=1S/C12H25N/c1-10(2)6-5-7-11(3)13(4)12-8-9-12/h10-12H,5-9H2,1-4H3
InChIKeyITKDZVSNNLVGES-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds6

About N-methyl-N-(6-methylheptan-2-yl)cyclopropanamine

N-methyl-N-(6-methylheptan-2-yl)cyclopropanamine (PubChem CID 27734) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-methyl-N-(6-methylheptan-2-yl)cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-(6-methylheptan-2-yl)cyclopropanamine
PubChem CID27734
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-methyl-N-(6-methylheptan-2-yl)cyclopropanamine
SMILESCC(C)CCCC(C)N(C)C1CC1
InChIInChI=1S/C12H25N/c1-10(2)6-5-7-11(3)13(4)12-8-9-12/h10-12H,5-9H2,1-4H3
InChIKeyITKDZVSNNLVGES-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-methyl-N-(6-methylheptan-2-yl)cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-methylheptan-2-yl)cyclopropanamine?
The IUPAC name of N-methyl-N-(6-methylheptan-2-yl)cyclopropanamine (CID 27734) is N-methyl-N-(6-methylheptan-2-yl)cyclopropanamine.
What is the SMILES notation for N-methyl-N-(6-methylheptan-2-yl)cyclopropanamine?
The canonical SMILES for N-methyl-N-(6-methylheptan-2-yl)cyclopropanamine is CC(C)CCCC(C)N(C)C1CC1.
What is the InChIKey of N-methyl-N-(6-methylheptan-2-yl)cyclopropanamine?
The InChIKey is ITKDZVSNNLVGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)6-5-7-11(3)13(4)12-8-9-12/h10-12H,5-9H2,1-4H3.
What are the key properties of N-methyl-N-(6-methylheptan-2-yl)cyclopropanamine?
N-methyl-N-(6-methylheptan-2-yl)cyclopropanamine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-methylheptan-2-yl)cyclopropanamine is sourced from PubChem (CID 27734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).