(3R)-3-(aminomethyl)pentan-2-ol

C6H15NO — CID 141325021

IUPAC(3R)-3-(aminomethyl)pentan-2-ol
SMILESCC[C@H](CN)C(C)O
InChIInChI=1S/C6H15NO/c1-3-6(4-7)5(2)8/h5-6,8H,3-4,7H2,1-2H3/t5?,6-/m1/s1
InChIKeyLNPLPBRSCJTMHP-PRJDIBJQSA-N
MW117.19 g/mol
LogP0.35
Rot. Bonds3

About (3R)-3-(aminomethyl)pentan-2-ol

(3R)-3-(aminomethyl)pentan-2-ol (PubChem CID 141325021) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is (3R)-3-(aminomethyl)pentan-2-ol.

Molecular Properties

Compound Name(3R)-3-(aminomethyl)pentan-2-ol
PubChem CID141325021
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name(3R)-3-(aminomethyl)pentan-2-ol
SMILESCC[C@H](CN)C(C)O
InChIInChI=1S/C6H15NO/c1-3-6(4-7)5(2)8/h5-6,8H,3-4,7H2,1-2H3/t5?,6-/m1/s1
InChIKeyLNPLPBRSCJTMHP-PRJDIBJQSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(aminomethyl)-2-methylheptan-4-ol
CID 65187754
(2S,3S)-2-ethylbutane-1,3-diol
CID 87152899
(2R,3R)-2-ethylbutane-1,3-diol
CID 130733536
1-amino-3-ethylpentane-1,4-diol
CID 57220298
2-ethyl-4-methylpentane-1,3-diamine
CID 116945412
3-(aminomethyl)heptan-4-ol
CID 54499673
3-(aminomethyl)-6,7,7-trimethyloctan-4-ol
CID 65188124
2-ethyl-3-methoxybutan-1-amine
CID 88936076
1-aminobutan-2-ol;3-aminobutan-2-ol
CID 159145044
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol
CID 165445412
3,5-diethylheptane-2,5-diol
CID 114496696

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(aminomethyl)pentan-2-ol?
The IUPAC name of (3R)-3-(aminomethyl)pentan-2-ol (CID 141325021) is (3R)-3-(aminomethyl)pentan-2-ol.
What is the SMILES notation for (3R)-3-(aminomethyl)pentan-2-ol?
The canonical SMILES for (3R)-3-(aminomethyl)pentan-2-ol is CC[C@H](CN)C(C)O.
What is the InChIKey of (3R)-3-(aminomethyl)pentan-2-ol?
The InChIKey is LNPLPBRSCJTMHP-PRJDIBJQSA-N. The full InChI is InChI=1S/C6H15NO/c1-3-6(4-7)5(2)8/h5-6,8H,3-4,7H2,1-2H3/t5?,6-/m1/s1.
What are the key properties of (3R)-3-(aminomethyl)pentan-2-ol?
(3R)-3-(aminomethyl)pentan-2-ol has a molecular weight of 117.19 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(aminomethyl)pentan-2-ol is sourced from PubChem (CID 141325021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).