4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol

C15H34N2O — CID 64826563

IUPAC4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol
SMILESCCCCCN(CCC(CO)NC(C)C)C(C)C
InChIInChI=1S/C15H34N2O/c1-6-7-8-10-17(14(4)5)11-9-15(12-18)16-13(2)3/h13-16,18H,6-12H2,1-5H3
InChIKeyKRHONXLOUMFDRO-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.64
Rot. Bonds11

About 4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol

4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64826563) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol
PubChem CID64826563
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol
SMILESCCCCCN(CCC(CO)NC(C)C)C(C)C
InChIInChI=1S/C15H34N2O/c1-6-7-8-10-17(14(4)5)11-9-15(12-18)16-13(2)3/h13-16,18H,6-12H2,1-5H3
InChIKeyKRHONXLOUMFDRO-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[pentyl(propan-2-yl)amino]-2-(propan-2-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-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol (CID 64826563) is 4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol is CCCCCN(CCC(CO)NC(C)C)C(C)C.
What is the InChIKey of 4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is KRHONXLOUMFDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-6-7-8-10-17(14(4)5)11-9-15(12-18)16-13(2)3/h13-16,18H,6-12H2,1-5H3.
What are the key properties of 4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol?
4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 258.45 g/mol, XLogP of 2.64, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64826563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).