2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol

C13H29NO — CID 115895063

IUPAC2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESCCCCC(C)NC(CO)CC(C)(C)C
InChIInChI=1S/C13H29NO/c1-6-7-8-11(2)14-12(10-15)9-13(3,4)5/h11-12,14-15H,6-10H2,1-5H3
InChIKeyWMBLOIYIMZPNES-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.95
Rot. Bonds7

About 2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol

2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol (PubChem CID 115895063) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol
PubChem CID115895063
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESCCCCC(C)NC(CO)CC(C)(C)C
InChIInChI=1S/C13H29NO/c1-6-7-8-11(2)14-12(10-15)9-13(3,4)5/h11-12,14-15H,6-10H2,1-5H3
InChIKeyWMBLOIYIMZPNES-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(hexan-2-ylamino)-4,4-dimethylpentan-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

Related Compounds

4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol
CID 115895057
2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895048
(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol
CID 28724696
2-(hexan-3-ylamino)-4,4-dimethylpentan-1-ol
CID 115906532
3-(hexan-2-ylamino)butan-1-ol
CID 81338957
4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol
CID 103949543
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
3-(hexan-2-ylamino)-4-methylsulfanylbutan-1-ol
CID 115723205
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
(2R)-2-(undecan-6-ylamino)propan-1-ol
CID 114987067
2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol
CID 115895052
2-(butan-2-ylamino)undecan-1-ol
CID 114078301

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol (CID 115895063) is 2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol is CCCCC(C)NC(CO)CC(C)(C)C.
What is the InChIKey of 2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is WMBLOIYIMZPNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-7-8-11(2)14-12(10-15)9-13(3,4)5/h11-12,14-15H,6-10H2,1-5H3.
What are the key properties of 2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol?
2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 115895063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).