2-heptan-4-yloxypropan-1-amine

C10H23NO — CID 88964936

IUPAC2-heptan-4-yloxypropan-1-amine
SMILESCCCC(CCC)OC(C)CN
InChIInChI=1S/C10H23NO/c1-4-6-10(7-5-2)12-9(3)8-11/h9-10H,4-8,11H2,1-3H3
InChIKeyVNPSTHVCRAKTJK-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.32
Rot. Bonds7

About 2-heptan-4-yloxypropan-1-amine

2-heptan-4-yloxypropan-1-amine (PubChem CID 88964936) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-heptan-4-yloxypropan-1-amine.

Molecular Properties

Compound Name2-heptan-4-yloxypropan-1-amine
PubChem CID88964936
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-heptan-4-yloxypropan-1-amine
SMILESCCCC(CCC)OC(C)CN
InChIInChI=1S/C10H23NO/c1-4-6-10(7-5-2)12-9(3)8-11/h9-10H,4-8,11H2,1-3H3
InChIKeyVNPSTHVCRAKTJK-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-heptan-4-yloxypropan-1-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 2-heptan-4-yloxypropan-1-amine?
The IUPAC name of 2-heptan-4-yloxypropan-1-amine (CID 88964936) is 2-heptan-4-yloxypropan-1-amine.
What is the SMILES notation for 2-heptan-4-yloxypropan-1-amine?
The canonical SMILES for 2-heptan-4-yloxypropan-1-amine is CCCC(CCC)OC(C)CN.
What is the InChIKey of 2-heptan-4-yloxypropan-1-amine?
The InChIKey is VNPSTHVCRAKTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-6-10(7-5-2)12-9(3)8-11/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 2-heptan-4-yloxypropan-1-amine?
2-heptan-4-yloxypropan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-4-yloxypropan-1-amine is sourced from PubChem (CID 88964936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).