N-(4-methylheptan-2-yl)cyclopropanamine

C11H23N — CID 27732

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

About N-(4-methylheptan-2-yl)cyclopropanamine

N-(4-methylheptan-2-yl)cyclopropanamine (PubChem CID 27732) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-(4-methylheptan-2-yl)cyclopropanamine.

Molecular Properties

Compound NameN-(4-methylheptan-2-yl)cyclopropanamine
PubChem CID27732
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-(4-methylheptan-2-yl)cyclopropanamine
SMILESCCCC(C)CC(C)NC1CC1
InChIInChI=1S/C11H23N/c1-4-5-9(2)8-10(3)12-11-6-7-11/h9-12H,4-8H2,1-3H3
InChIKeyHXSAOUQBBKCEFY-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylheptan-2-yl)cyclopropanamine?
The IUPAC name of N-(4-methylheptan-2-yl)cyclopropanamine (CID 27732) is N-(4-methylheptan-2-yl)cyclopropanamine.
What is the SMILES notation for N-(4-methylheptan-2-yl)cyclopropanamine?
The canonical SMILES for N-(4-methylheptan-2-yl)cyclopropanamine is CCCC(C)CC(C)NC1CC1.
What is the InChIKey of N-(4-methylheptan-2-yl)cyclopropanamine?
The InChIKey is HXSAOUQBBKCEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-5-9(2)8-10(3)12-11-6-7-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N-(4-methylheptan-2-yl)cyclopropanamine?
N-(4-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-(4-methylheptan-2-yl)cyclopropanamine is sourced from PubChem (CID 27732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).