1-amino-5-ethylheptan-4-ol

C9H21NO — CID 23055973

IUPAC1-amino-5-ethylheptan-4-ol
SMILESCCC(CC)C(O)CCCN
InChIInChI=1S/C9H21NO/c1-3-8(4-2)9(11)6-5-7-10/h8-9,11H,3-7,10H2,1-2H3
InChIKeyQSOKSWYUILBOMD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.52
Rot. Bonds6

About 1-amino-5-ethylheptan-4-ol

1-amino-5-ethylheptan-4-ol (PubChem CID 23055973) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-amino-5-ethylheptan-4-ol.

Molecular Properties

Compound Name1-amino-5-ethylheptan-4-ol
PubChem CID23055973
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-amino-5-ethylheptan-4-ol
SMILESCCC(CC)C(O)CCCN
InChIInChI=1S/C9H21NO/c1-3-8(4-2)9(11)6-5-7-10/h8-9,11H,3-7,10H2,1-2H3
InChIKeyQSOKSWYUILBOMD-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-5-ethylheptan-4-ol 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 1-amino-5-ethylheptan-4-ol?
The IUPAC name of 1-amino-5-ethylheptan-4-ol (CID 23055973) is 1-amino-5-ethylheptan-4-ol.
What is the SMILES notation for 1-amino-5-ethylheptan-4-ol?
The canonical SMILES for 1-amino-5-ethylheptan-4-ol is CCC(CC)C(O)CCCN.
What is the InChIKey of 1-amino-5-ethylheptan-4-ol?
The InChIKey is QSOKSWYUILBOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-3-8(4-2)9(11)6-5-7-10/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of 1-amino-5-ethylheptan-4-ol?
1-amino-5-ethylheptan-4-ol has a molecular weight of 159.27 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-ethylheptan-4-ol is sourced from PubChem (CID 23055973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).