3-[(1-ethylcyclopropyl)amino]butan-2-ol

C9H19NO — CID 131227444

IUPAC3-[(1-ethylcyclopropyl)amino]butan-2-ol
SMILESCCC1(NC(C)C(C)O)CC1
InChIInChI=1S/C9H19NO/c1-4-9(5-6-9)10-7(2)8(3)11/h7-8,10-11H,4-6H2,1-3H3
InChIKeyJOLXLFHIYKNYNM-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.29
Rot. Bonds4

About 3-[(1-ethylcyclopropyl)amino]butan-2-ol

3-[(1-ethylcyclopropyl)amino]butan-2-ol (PubChem CID 131227444) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[(1-ethylcyclopropyl)amino]butan-2-ol.

Molecular Properties

Compound Name3-[(1-ethylcyclopropyl)amino]butan-2-ol
PubChem CID131227444
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-[(1-ethylcyclopropyl)amino]butan-2-ol
SMILESCCC1(NC(C)C(C)O)CC1
InChIInChI=1S/C9H19NO/c1-4-9(5-6-9)10-7(2)8(3)11/h7-8,10-11H,4-6H2,1-3H3
InChIKeyJOLXLFHIYKNYNM-UHFFFAOYSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(1-ethylcyclopropyl)amino]butan-2-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 3-[(1-ethylcyclopropyl)amino]butan-2-ol?
The IUPAC name of 3-[(1-ethylcyclopropyl)amino]butan-2-ol (CID 131227444) is 3-[(1-ethylcyclopropyl)amino]butan-2-ol.
What is the SMILES notation for 3-[(1-ethylcyclopropyl)amino]butan-2-ol?
The canonical SMILES for 3-[(1-ethylcyclopropyl)amino]butan-2-ol is CCC1(NC(C)C(C)O)CC1.
What is the InChIKey of 3-[(1-ethylcyclopropyl)amino]butan-2-ol?
The InChIKey is JOLXLFHIYKNYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-9(5-6-9)10-7(2)8(3)11/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of 3-[(1-ethylcyclopropyl)amino]butan-2-ol?
3-[(1-ethylcyclopropyl)amino]butan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylcyclopropyl)amino]butan-2-ol is sourced from PubChem (CID 131227444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).