4-methyl-2-(2-methylpentylamino)pentan-1-ol

C12H27NO — CID 61245377

IUPAC4-methyl-2-(2-methylpentylamino)pentan-1-ol
SMILESCCCC(C)CNC(CO)CC(C)C
InChIInChI=1S/C12H27NO/c1-5-6-11(4)8-13-12(9-14)7-10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyOQYVRZUCEIKJAT-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.42
Rot. Bonds8

About 4-methyl-2-(2-methylpentylamino)pentan-1-ol

4-methyl-2-(2-methylpentylamino)pentan-1-ol (PubChem CID 61245377) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpentylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(2-methylpentylamino)pentan-1-ol
PubChem CID61245377
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-methyl-2-(2-methylpentylamino)pentan-1-ol
SMILESCCCC(C)CNC(CO)CC(C)C
InChIInChI=1S/C12H27NO/c1-5-6-11(4)8-13-12(9-14)7-10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyOQYVRZUCEIKJAT-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-(2-methylpentylamino)pentan-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

2-(2-methylpentylamino)propane-1,3-diol
CID 65315712
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323
2-(2-hydroxybutylamino)-4-methylpentan-1-ol
CID 61245406
2-(butylamino)-4-methylpentan-1-ol
CID 61246841
(2S)-3-methyl-2-(2-methylpentylamino)butan-1-ol
CID 79253780
2-(2-methylpentylamino)-3-phenylpropan-1-ol
CID 63260515
2-(2-hydroxypropylamino)pentan-1-ol
CID 126754645
2-methyl-3-(pentan-2-ylamino)propan-1-ol
CID 65031909
(2S)-2-(decylamino)-4-methylpentan-1-ol
CID 98495932
2-(2-methylbutylamino)propane-1,3-diol
CID 65312864
1-(2-methylpentylamino)ethanol
CID 88836184
2,6-dimethyl-N-(2-methylbutyl)heptan-4-amine
CID 63477692

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpentylamino)pentan-1-ol?
The IUPAC name of 4-methyl-2-(2-methylpentylamino)pentan-1-ol (CID 61245377) is 4-methyl-2-(2-methylpentylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-2-(2-methylpentylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-2-(2-methylpentylamino)pentan-1-ol is CCCC(C)CNC(CO)CC(C)C.
What is the InChIKey of 4-methyl-2-(2-methylpentylamino)pentan-1-ol?
The InChIKey is OQYVRZUCEIKJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-6-11(4)8-13-12(9-14)7-10(2)3/h10-14H,5-9H2,1-4H3.
What are the key properties of 4-methyl-2-(2-methylpentylamino)pentan-1-ol?
4-methyl-2-(2-methylpentylamino)pentan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpentylamino)pentan-1-ol is sourced from PubChem (CID 61245377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).