3-[bis(4-methylpentyl)amino]propan-1-ol

C15H33NO — CID 3030979

IUPAC3-[bis(4-methylpentyl)amino]propan-1-ol
SMILESCC(C)CCCN(CCCO)CCCC(C)C
InChIInChI=1S/C15H33NO/c1-14(2)8-5-10-16(12-7-13-17)11-6-9-15(3)4/h14-15,17H,5-13H2,1-4H3
InChIKeyVKNKBQSYUQFKIX-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.54
Rot. Bonds11

About 3-[bis(4-methylpentyl)amino]propan-1-ol

3-[bis(4-methylpentyl)amino]propan-1-ol (PubChem CID 3030979) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 3-[bis(4-methylpentyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[bis(4-methylpentyl)amino]propan-1-ol
PubChem CID3030979
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name3-[bis(4-methylpentyl)amino]propan-1-ol
SMILESCC(C)CCCN(CCCO)CCCC(C)C
InChIInChI=1S/C15H33NO/c1-14(2)8-5-10-16(12-7-13-17)11-6-9-15(3)4/h14-15,17H,5-13H2,1-4H3
InChIKeyVKNKBQSYUQFKIX-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[bis(4-methylpentyl)amino]propan-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 3-[bis(4-methylpentyl)amino]propan-1-ol?
The IUPAC name of 3-[bis(4-methylpentyl)amino]propan-1-ol (CID 3030979) is 3-[bis(4-methylpentyl)amino]propan-1-ol.
What is the SMILES notation for 3-[bis(4-methylpentyl)amino]propan-1-ol?
The canonical SMILES for 3-[bis(4-methylpentyl)amino]propan-1-ol is CC(C)CCCN(CCCO)CCCC(C)C.
What is the InChIKey of 3-[bis(4-methylpentyl)amino]propan-1-ol?
The InChIKey is VKNKBQSYUQFKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-14(2)8-5-10-16(12-7-13-17)11-6-9-15(3)4/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 3-[bis(4-methylpentyl)amino]propan-1-ol?
3-[bis(4-methylpentyl)amino]propan-1-ol has a molecular weight of 243.43 g/mol, XLogP of 3.54, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-methylpentyl)amino]propan-1-ol is sourced from PubChem (CID 3030979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).