(2S,3R)-3-aminohex-5-en-2-ol

C6H13NO — CID 130715143

IUPAC(2S,3R)-3-aminohex-5-en-2-ol
SMILESC=CC[C@@H](N)[C@H](C)O
InChIInChI=1S/C6H13NO/c1-3-4-6(7)5(2)8/h3,5-6,8H,1,4,7H2,2H3/t5-,6+/m0/s1
InChIKeyBJORUWKNBLQGBX-NTSWFWBYSA-N
MW115.18 g/mol
LogP0.27
Rot. Bonds3

About (2S,3R)-3-aminohex-5-en-2-ol

(2S,3R)-3-aminohex-5-en-2-ol (PubChem CID 130715143) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (2S,3R)-3-aminohex-5-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-aminohex-5-en-2-ol
PubChem CID130715143
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(2S,3R)-3-aminohex-5-en-2-ol
SMILESC=CC[C@@H](N)[C@H](C)O
InChIInChI=1S/C6H13NO/c1-3-4-6(7)5(2)8/h3,5-6,8H,1,4,7H2,2H3/t5-,6+/m0/s1
InChIKeyBJORUWKNBLQGBX-NTSWFWBYSA-N
XLogP0.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

azane;pent-4-en-2-ol
CID 22149561
3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol
CID 57058663
2-(1-hydroxyethyl)pent-4-enoic acid
CID 18940262
(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 59911359
3-methylhept-6-ene-2,4-diol
CID 66895376
methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 160589694
pent-4-en-2-ol;urea
CID 88650571
methyl 2-aminopent-4-enoate
CID 10877146
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
3,4-dimethylhept-6-en-2-amine
CID 131966570
(4S)-6-methylhept-1-en-4-amine
CID 55284878

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-aminohex-5-en-2-ol?
The IUPAC name of (2S,3R)-3-aminohex-5-en-2-ol (CID 130715143) is (2S,3R)-3-aminohex-5-en-2-ol.
What is the SMILES notation for (2S,3R)-3-aminohex-5-en-2-ol?
The canonical SMILES for (2S,3R)-3-aminohex-5-en-2-ol is C=CC[C@@H](N)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-aminohex-5-en-2-ol?
The InChIKey is BJORUWKNBLQGBX-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-6(7)5(2)8/h3,5-6,8H,1,4,7H2,2H3/t5-,6+/m0/s1.
What are the key properties of (2S,3R)-3-aminohex-5-en-2-ol?
(2S,3R)-3-aminohex-5-en-2-ol has a molecular weight of 115.18 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-aminohex-5-en-2-ol is sourced from PubChem (CID 130715143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).