(E)-7-aminohept-2-en-4-ol;azane

C7H18N2O — CID 87834016

IUPAC(E)-7-aminohept-2-en-4-ol;azane
SMILESC/C=C/C(O)CCCN.N
InChIInChI=1S/C7H15NO.H3N/c1-2-4-7(9)5-3-6-8;/h2,4,7,9H,3,5-6,8H2,1H3;1H3/b4-2+;
InChIKeyQUCQHKPNFZBIEW-VEELZWTKSA-N
MW146.23 g/mol
LogP0.82
Rot. Bonds4

About (E)-7-aminohept-2-en-4-ol;azane

(E)-7-aminohept-2-en-4-ol;azane (PubChem CID 87834016) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is (E)-7-aminohept-2-en-4-ol;azane.

Molecular Properties

Compound Name(E)-7-aminohept-2-en-4-ol;azane
PubChem CID87834016
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name(E)-7-aminohept-2-en-4-ol;azane
SMILESC/C=C/C(O)CCCN.N
InChIInChI=1S/C7H15NO.H3N/c1-2-4-7(9)5-3-6-8;/h2,4,7,9H,3,5-6,8H2,1H3;1H3/b4-2+;
InChIKeyQUCQHKPNFZBIEW-VEELZWTKSA-N
XLogP0.82
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-non-7-ene-2,6-diol
CID 87908692
(Z)-undec-2-en-4-ol
CID 14320443
(E)-hex-4-en-3-ol
CID 5366234
dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 173398579
pent-3-ene-1,2-diol;hydrochloride
CID 141276135
6-methylnon-7-ene-1,5-diamine
CID 130322819
(E)-3-hydroxyhex-4-enamide
CID 11083908
(3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol
CID 10931836
(5S)-5-hydroxy-N-phenyloct-6-enamide
CID 91143189
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449
1,4-dihydroxyhept-5-en-2-one
CID 59965404
non-2-ene-4,6-diol
CID 91115138

Frequently Asked Questions

What is the IUPAC name of (E)-7-aminohept-2-en-4-ol;azane?
The IUPAC name of (E)-7-aminohept-2-en-4-ol;azane (CID 87834016) is (E)-7-aminohept-2-en-4-ol;azane.
What is the SMILES notation for (E)-7-aminohept-2-en-4-ol;azane?
The canonical SMILES for (E)-7-aminohept-2-en-4-ol;azane is C/C=C/C(O)CCCN.N.
What is the InChIKey of (E)-7-aminohept-2-en-4-ol;azane?
The InChIKey is QUCQHKPNFZBIEW-VEELZWTKSA-N. The full InChI is InChI=1S/C7H15NO.H3N/c1-2-4-7(9)5-3-6-8;/h2,4,7,9H,3,5-6,8H2,1H3;1H3/b4-2+;.
What are the key properties of (E)-7-aminohept-2-en-4-ol;azane?
(E)-7-aminohept-2-en-4-ol;azane has a molecular weight of 146.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-aminohept-2-en-4-ol;azane is sourced from PubChem (CID 87834016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).