(Z)-7-amino-3-ethylhept-3-en-1-ol

C9H19NO — CID 83980364

IUPAC(Z)-7-amino-3-ethylhept-3-en-1-ol
SMILESCC/C(=C/CCCN)CCO
InChIInChI=1S/C9H19NO/c1-2-9(6-8-11)5-3-4-7-10/h5,11H,2-4,6-8,10H2,1H3/b9-5-
InChIKeyQQVDPJUEESEMEB-UITAMQMPSA-N
MW157.26 g/mol
LogP1.44
Rot. Bonds6

About (Z)-7-amino-3-ethylhept-3-en-1-ol

(Z)-7-amino-3-ethylhept-3-en-1-ol (PubChem CID 83980364) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (Z)-7-amino-3-ethylhept-3-en-1-ol.

Molecular Properties

Compound Name(Z)-7-amino-3-ethylhept-3-en-1-ol
PubChem CID83980364
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(Z)-7-amino-3-ethylhept-3-en-1-ol
SMILESCC/C(=C/CCCN)CCO
InChIInChI=1S/C9H19NO/c1-2-9(6-8-11)5-3-4-7-10/h5,11H,2-4,6-8,10H2,1H3/b9-5-
InChIKeyQQVDPJUEESEMEB-UITAMQMPSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-amino-3-ethylhept-3-en-1-ol?
The IUPAC name of (Z)-7-amino-3-ethylhept-3-en-1-ol (CID 83980364) is (Z)-7-amino-3-ethylhept-3-en-1-ol.
What is the SMILES notation for (Z)-7-amino-3-ethylhept-3-en-1-ol?
The canonical SMILES for (Z)-7-amino-3-ethylhept-3-en-1-ol is CC/C(=C/CCCN)CCO.
What is the InChIKey of (Z)-7-amino-3-ethylhept-3-en-1-ol?
The InChIKey is QQVDPJUEESEMEB-UITAMQMPSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-9(6-8-11)5-3-4-7-10/h5,11H,2-4,6-8,10H2,1H3/b9-5-.
What are the key properties of (Z)-7-amino-3-ethylhept-3-en-1-ol?
(Z)-7-amino-3-ethylhept-3-en-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-amino-3-ethylhept-3-en-1-ol is sourced from PubChem (CID 83980364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).