2-[bis(4-methylpentyl)amino]ethanol

C14H31NO — CID 3065831

IUPAC2-[bis(4-methylpentyl)amino]ethanol
SMILESCC(C)CCCN(CCO)CCCC(C)C
InChIInChI=1S/C14H31NO/c1-13(2)7-5-9-15(11-12-16)10-6-8-14(3)4/h13-14,16H,5-12H2,1-4H3
InChIKeySVAFEOFEJMPAID-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.15
Rot. Bonds10

About 2-[bis(4-methylpentyl)amino]ethanol

2-[bis(4-methylpentyl)amino]ethanol (PubChem CID 3065831) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-[bis(4-methylpentyl)amino]ethanol.

Molecular Properties

Compound Name2-[bis(4-methylpentyl)amino]ethanol
PubChem CID3065831
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-[bis(4-methylpentyl)amino]ethanol
SMILESCC(C)CCCN(CCO)CCCC(C)C
InChIInChI=1S/C14H31NO/c1-13(2)7-5-9-15(11-12-16)10-6-8-14(3)4/h13-14,16H,5-12H2,1-4H3
InChIKeySVAFEOFEJMPAID-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-methylpentyl)amino]ethanol?
The IUPAC name of 2-[bis(4-methylpentyl)amino]ethanol (CID 3065831) is 2-[bis(4-methylpentyl)amino]ethanol.
What is the SMILES notation for 2-[bis(4-methylpentyl)amino]ethanol?
The canonical SMILES for 2-[bis(4-methylpentyl)amino]ethanol is CC(C)CCCN(CCO)CCCC(C)C.
What is the InChIKey of 2-[bis(4-methylpentyl)amino]ethanol?
The InChIKey is SVAFEOFEJMPAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-13(2)7-5-9-15(11-12-16)10-6-8-14(3)4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 2-[bis(4-methylpentyl)amino]ethanol?
2-[bis(4-methylpentyl)amino]ethanol has a molecular weight of 229.41 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-methylpentyl)amino]ethanol is sourced from PubChem (CID 3065831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).