N-propylbutan-2-amine

C7H17N — CID 559366

IUPACN-propylbutan-2-amine
SMILESCCCNC(C)CC
InChIInChI=1S/C7H17N/c1-4-6-8-7(3)5-2/h7-8H,4-6H2,1-3H3
InChIKeyQYNZYUUXSVZDJO-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.78
Rot. Bonds4

About N-propylbutan-2-amine

N-propylbutan-2-amine (PubChem CID 559366) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is N-propylbutan-2-amine.

Molecular Properties

Compound NameN-propylbutan-2-amine
PubChem CID559366
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC NameN-propylbutan-2-amine
SMILESCCCNC(C)CC
InChIInChI=1S/C7H17N/c1-4-6-8-7(3)5-2/h7-8H,4-6H2,1-3H3
InChIKeyQYNZYUUXSVZDJO-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-propylbutan-2-amine 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-propylbutan-2-amine?
The IUPAC name of N-propylbutan-2-amine (CID 559366) is N-propylbutan-2-amine.
What is the SMILES notation for N-propylbutan-2-amine?
The canonical SMILES for N-propylbutan-2-amine is CCCNC(C)CC.
What is the InChIKey of N-propylbutan-2-amine?
The InChIKey is QYNZYUUXSVZDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N/c1-4-6-8-7(3)5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of N-propylbutan-2-amine?
N-propylbutan-2-amine has a molecular weight of 115.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylbutan-2-amine is sourced from PubChem (CID 559366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).