2-[(1R)-1-aminoethyl]pentan-1-ol

C7H17NO — CID 163501333

IUPAC2-[(1R)-1-aminoethyl]pentan-1-ol
SMILESCCCC(CO)[C@@H](C)N
InChIInChI=1S/C7H17NO/c1-3-4-7(5-9)6(2)8/h6-7,9H,3-5,8H2,1-2H3/t6-,7?/m1/s1
InChIKeyCUZVTXBULFZGJB-ULUSZKPHSA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds4

About 2-[(1R)-1-aminoethyl]pentan-1-ol

2-[(1R)-1-aminoethyl]pentan-1-ol (PubChem CID 163501333) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]pentan-1-ol.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]pentan-1-ol
PubChem CID163501333
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name2-[(1R)-1-aminoethyl]pentan-1-ol
SMILESCCCC(CO)[C@@H](C)N
InChIInChI=1S/C7H17NO/c1-3-4-7(5-9)6(2)8/h6-7,9H,3-5,8H2,1-2H3/t6-,7?/m1/s1
InChIKeyCUZVTXBULFZGJB-ULUSZKPHSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1R)-1-aminoethyl]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

(2S,3R)-2-amino-3-propylbutane-1,4-diol
CID 10820698
(2S)-2-amino-3-propylhexan-1-ol
CID 154703433
(2R,3R)-3-amino-2-ethylhexan-1-ol
CID 11126400
4-methyl-2-propylpentane-1,3-diol
CID 176549638
2-butyl-3-propylbutane-1,4-diol
CID 87266771
(2S,3S)-2-aminohexan-3-ol
CID 55285025
2-methyl-3-propyldecane-1,10-diol
CID 87292989
2-pentan-2-ylpropane-1,3-diol;2-pentan-3-ylpropane-1,3-diol
CID 174400202
2-methyl-5-propyloct-2-en-4-amine
CID 105004866
1-amino-2-butylpropane-1,3-diol
CID 174805144
3,6-dimethyl-4-propylhept-6-en-2-amine
CID 134183824
(2S)-pentan-2-amine
CID 6997344

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]pentan-1-ol?
The IUPAC name of 2-[(1R)-1-aminoethyl]pentan-1-ol (CID 163501333) is 2-[(1R)-1-aminoethyl]pentan-1-ol.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]pentan-1-ol?
The canonical SMILES for 2-[(1R)-1-aminoethyl]pentan-1-ol is CCCC(CO)[C@@H](C)N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]pentan-1-ol?
The InChIKey is CUZVTXBULFZGJB-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-4-7(5-9)6(2)8/h6-7,9H,3-5,8H2,1-2H3/t6-,7?/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]pentan-1-ol?
2-[(1R)-1-aminoethyl]pentan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]pentan-1-ol is sourced from PubChem (CID 163501333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).