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

C11H23N — CID 27731

IUPACN-(6-methylheptan-2-yl)cyclopropanamine
SMILESCC(C)CCCC(C)NC1CC1
InChIInChI=1S/C11H23N/c1-9(2)5-4-6-10(3)12-11-7-8-11/h9-12H,4-8H2,1-3H3
InChIKeyZBPOPLFNXBRALD-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.95
Rot. Bonds6

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

N-(6-methylheptan-2-yl)cyclopropanamine (PubChem CID 27731) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)cyclopropanamine.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)cyclopropanamine
PubChem CID27731
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-(6-methylheptan-2-yl)cyclopropanamine
SMILESCC(C)CCCC(C)NC1CC1
InChIInChI=1S/C11H23N/c1-9(2)5-4-6-10(3)12-11-7-8-11/h9-12H,4-8H2,1-3H3
InChIKeyZBPOPLFNXBRALD-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 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-(6-methylheptan-2-yl)cyclopropanamine?
The IUPAC name of N-(6-methylheptan-2-yl)cyclopropanamine (CID 27731) is N-(6-methylheptan-2-yl)cyclopropanamine.
What is the SMILES notation for N-(6-methylheptan-2-yl)cyclopropanamine?
The canonical SMILES for N-(6-methylheptan-2-yl)cyclopropanamine is CC(C)CCCC(C)NC1CC1.
What is the InChIKey of N-(6-methylheptan-2-yl)cyclopropanamine?
The InChIKey is ZBPOPLFNXBRALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)5-4-6-10(3)12-11-7-8-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N-(6-methylheptan-2-yl)cyclopropanamine?
N-(6-methylheptan-2-yl)cyclopropanamine has a molecular weight of 169.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)cyclopropanamine is sourced from PubChem (CID 27731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).