4-(3-methylpentan-3-ylamino)butan-1-ol

C10H23NO — CID 21283959

IUPAC4-(3-methylpentan-3-ylamino)butan-1-ol
SMILESCCC(C)(CC)NCCCCO
InChIInChI=1S/C10H23NO/c1-4-10(3,5-2)11-8-6-7-9-12/h11-12H,4-9H2,1-3H3
InChIKeyNGGPCTXIXMTSIL-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.93
Rot. Bonds7

About 4-(3-methylpentan-3-ylamino)butan-1-ol

4-(3-methylpentan-3-ylamino)butan-1-ol (PubChem CID 21283959) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-(3-methylpentan-3-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3-methylpentan-3-ylamino)butan-1-ol
PubChem CID21283959
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-(3-methylpentan-3-ylamino)butan-1-ol
SMILESCCC(C)(CC)NCCCCO
InChIInChI=1S/C10H23NO/c1-4-10(3,5-2)11-8-6-7-9-12/h11-12H,4-9H2,1-3H3
InChIKeyNGGPCTXIXMTSIL-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-methylpentan-3-ylamino)butan-1-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 4-(3-methylpentan-3-ylamino)butan-1-ol?
The IUPAC name of 4-(3-methylpentan-3-ylamino)butan-1-ol (CID 21283959) is 4-(3-methylpentan-3-ylamino)butan-1-ol.
What is the SMILES notation for 4-(3-methylpentan-3-ylamino)butan-1-ol?
The canonical SMILES for 4-(3-methylpentan-3-ylamino)butan-1-ol is CCC(C)(CC)NCCCCO.
What is the InChIKey of 4-(3-methylpentan-3-ylamino)butan-1-ol?
The InChIKey is NGGPCTXIXMTSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-10(3,5-2)11-8-6-7-9-12/h11-12H,4-9H2,1-3H3.
What are the key properties of 4-(3-methylpentan-3-ylamino)butan-1-ol?
4-(3-methylpentan-3-ylamino)butan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpentan-3-ylamino)butan-1-ol is sourced from PubChem (CID 21283959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).