3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol

C14H31NO — CID 137467653

IUPAC3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol
SMILESCCC(C)CCCN(C)CCC(C)(O)CC
InChIInChI=1S/C14H31NO/c1-6-13(3)9-8-11-15(5)12-10-14(4,16)7-2/h13,16H,6-12H2,1-5H3
InChIKeyHOMDOPXGZPOLPK-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.30
Rot. Bonds9

About 3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol

3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol (PubChem CID 137467653) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol.

Molecular Properties

Compound Name3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol
PubChem CID137467653
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol
SMILESCCC(C)CCCN(C)CCC(C)(O)CC
InChIInChI=1S/C14H31NO/c1-6-13(3)9-8-11-15(5)12-10-14(4,16)7-2/h13,16H,6-12H2,1-5H3
InChIKeyHOMDOPXGZPOLPK-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol?
The IUPAC name of 3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol (CID 137467653) is 3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol.
What is the SMILES notation for 3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol?
The canonical SMILES for 3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol is CCC(C)CCCN(C)CCC(C)(O)CC.
What is the InChIKey of 3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol?
The InChIKey is HOMDOPXGZPOLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-13(3)9-8-11-15(5)12-10-14(4,16)7-2/h13,16H,6-12H2,1-5H3.
What are the key properties of 3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol?
3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol has a molecular weight of 229.41 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol is sourced from PubChem (CID 137467653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).