(2S)-1-aminohex-5-en-2-ol

C6H13NO — CID 34176840

IUPAC(2S)-1-aminohex-5-en-2-ol
SMILESC=CCC[C@H](O)CN
InChIInChI=1S/C6H13NO/c1-2-3-4-6(8)5-7/h2,6,8H,1,3-5,7H2/t6-/m0/s1
InChIKeyOKUFACNXCOEMNH-LURJTMIESA-N
MW115.18 g/mol
LogP0.27
Rot. Bonds4

About (2S)-1-aminohex-5-en-2-ol

(2S)-1-aminohex-5-en-2-ol (PubChem CID 34176840) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (2S)-1-aminohex-5-en-2-ol.

Molecular Properties

Compound Name(2S)-1-aminohex-5-en-2-ol
PubChem CID34176840
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(2S)-1-aminohex-5-en-2-ol
SMILESC=CCC[C@H](O)CN
InChIInChI=1S/C6H13NO/c1-2-3-4-6(8)5-7/h2,6,8H,1,3-5,7H2/t6-/m0/s1
InChIKeyOKUFACNXCOEMNH-LURJTMIESA-N
XLogP0.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

5-amino-4-hydroxypentanal
CID 19767735
2-but-3-enylhex-5-en-1-amine
CID 130382667
(3S,5R)-nona-1,8-diene-3,5-diol
CID 132534592
1-prop-2-enoxyhex-5-en-2-ol
CID 12963723
(E)-1-aminonon-5-en-2-ol
CID 101275257
1-(2-hydroxyhex-5-enylsulfanyloxysulfanyl)hex-5-en-2-ol
CID 139642364
nona-1,7-dien-5-ol
CID 57009885
1-methoxydec-9-ene-3,6-diol
CID 91577196
1,24-diaminotetracosane-2,23-diol
CID 175286632
(2S)-1-phenylhex-5-en-2-ol
CID 102339258
2-propan-2-ylhex-5-en-1-amine;hydrochloride
CID 126844479
(6R,8R)-trideca-1,12-diene-6,8-diol
CID 10584668

Frequently Asked Questions

What is the IUPAC name of (2S)-1-aminohex-5-en-2-ol?
The IUPAC name of (2S)-1-aminohex-5-en-2-ol (CID 34176840) is (2S)-1-aminohex-5-en-2-ol.
What is the SMILES notation for (2S)-1-aminohex-5-en-2-ol?
The canonical SMILES for (2S)-1-aminohex-5-en-2-ol is C=CCC[C@H](O)CN.
What is the InChIKey of (2S)-1-aminohex-5-en-2-ol?
The InChIKey is OKUFACNXCOEMNH-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO/c1-2-3-4-6(8)5-7/h2,6,8H,1,3-5,7H2/t6-/m0/s1.
What are the key properties of (2S)-1-aminohex-5-en-2-ol?
(2S)-1-aminohex-5-en-2-ol has a molecular weight of 115.18 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-aminohex-5-en-2-ol is sourced from PubChem (CID 34176840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).