(1Z,3E)-6-ethylocta-1,3,7-trien-1-amine

C10H17N — CID 174042590

IUPAC(1Z,3E)-6-ethylocta-1,3,7-trien-1-amine
SMILESC=CC(CC)C/C=C/C=C\N
InChIInChI=1S/C10H17N/c1-3-10(4-2)8-6-5-7-9-11/h3,5-7,9-10H,1,4,8,11H2,2H3/b6-5+,9-7-
InChIKeyGPUMTCOWNOXUJP-UQIVLYAPSA-N
MW151.25 g/mol
LogP2.62
Rot. Bonds5

About (1Z,3E)-6-ethylocta-1,3,7-trien-1-amine

(1Z,3E)-6-ethylocta-1,3,7-trien-1-amine (PubChem CID 174042590) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (1Z,3E)-6-ethylocta-1,3,7-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-6-ethylocta-1,3,7-trien-1-amine
PubChem CID174042590
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(1Z,3E)-6-ethylocta-1,3,7-trien-1-amine
SMILESC=CC(CC)C/C=C/C=C\N
InChIInChI=1S/C10H17N/c1-3-10(4-2)8-6-5-7-9-11/h3,5-7,9-10H,1,4,8,11H2,2H3/b6-5+,9-7-
InChIKeyGPUMTCOWNOXUJP-UQIVLYAPSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethylhepta-2,6-dienoic acid
CID 91381848
(5E)-3-ethyl-7-methylidenenona-1,5-diene
CID 22448221
(3R)-3-ethylpent-4-en-1-amine
CID 122576147
(E,5R)-5-ethenylhex-2-ene-1,6-diamine
CID 124537933
5-ethenyl-3-ethylocta-1,7-diene
CID 150052452
carbonic acid;2-ethylbut-3-en-1-ol
CID 159522260
octa-5,7-dien-3-amine
CID 88768699
5-ethenyloct-2-ene
CID 91485843
3-(methoxymethyl)pent-1-ene
CID 54004268
3-ethylhept-1-ene
CID 12923943
(1Z,3Z)-5-methylhepta-1,3-dien-1-amine
CID 144815707
3,6,9-triethyl-7,8-dimethylundec-1-ene
CID 123629227

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-6-ethylocta-1,3,7-trien-1-amine?
The IUPAC name of (1Z,3E)-6-ethylocta-1,3,7-trien-1-amine (CID 174042590) is (1Z,3E)-6-ethylocta-1,3,7-trien-1-amine.
What is the SMILES notation for (1Z,3E)-6-ethylocta-1,3,7-trien-1-amine?
The canonical SMILES for (1Z,3E)-6-ethylocta-1,3,7-trien-1-amine is C=CC(CC)C/C=C/C=C\N.
What is the InChIKey of (1Z,3E)-6-ethylocta-1,3,7-trien-1-amine?
The InChIKey is GPUMTCOWNOXUJP-UQIVLYAPSA-N. The full InChI is InChI=1S/C10H17N/c1-3-10(4-2)8-6-5-7-9-11/h3,5-7,9-10H,1,4,8,11H2,2H3/b6-5+,9-7-.
What are the key properties of (1Z,3E)-6-ethylocta-1,3,7-trien-1-amine?
(1Z,3E)-6-ethylocta-1,3,7-trien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-6-ethylocta-1,3,7-trien-1-amine is sourced from PubChem (CID 174042590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).