(8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine

C30H58N2 — CID 138748896

IUPAC(8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine
SMILESCCCC/C=C/C/C=C(/CCCCCCN)C(CC/C=C/CCCC)CCCCCCN
InChIInChI=1S/C30H58N2/c1-3-5-7-9-11-17-23-29(25-19-13-15-21-27-31)30(26-20-14-16-22-28-32)24-18-12-10-8-6-4-2/h9-12,23,30H,3-8,13-22,24-28,31-32H2,1-2H3/b11-9+,12-10+,29-23-
InChIKeyOHGHVSBFZRMYJA-XYEBVNFUSA-N
MW446.81 g/mol
LogP9.01
Rot. Bonds24

About (8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine

(8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine (PubChem CID 138748896) has the molecular formula C30H58N2 and a molecular weight of 446.81 g/mol. Its IUPAC name is (8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine.

Molecular Properties

Compound Name(8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine
PubChem CID138748896
Molecular FormulaC30H58N2
Molecular Weight446.81 g/mol
Exact Mass446.46
IUPAC Name(8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine
SMILESCCCC/C=C/C/C=C(/CCCCCCN)C(CC/C=C/CCCC)CCCCCCN
InChIInChI=1S/C30H58N2/c1-3-5-7-9-11-17-23-29(25-19-13-15-21-27-31)30(26-20-14-16-22-28-32)24-18-12-10-8-6-4-2/h9-12,23,30H,3-8,13-22,24-28,31-32H2,1-2H3/b11-9+,12-10+,29-23-
InChIKeyOHGHVSBFZRMYJA-XYEBVNFUSA-N
XLogP9.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.81
LogP ≤ 59.01
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'}

Analyze (8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine with MolForge

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Related Compounds

[(9Z,12E)-9-(7-formyloxyheptyl)-8-[(E)-hept-3-enyl]hexadeca-9,12-dienyl] formate
CID 159338776
(12E,15E)-henicosa-12,15-dien-1-amine
CID 139349324
(9E,12E)-octadeca-9,12-dien-1-amine
CID 6504752
9-[13-[5,6-bis(7-carboxyheptyl)-2-hexylcyclohex-3-en-1-yl]-7,8-diethyltrideca-3,11-dienylidene]-10-non-3-enyloctadecanedioic acid
CID 123916569
[(6Z,9Z,12Z,25Z,28Z,31Z)-18-methylheptatriaconta-6,9,12,25,28,31-hexaen-19-yl] 5-aminopentanoate
CID 170129115
1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine
CID 174940034
octadec-9-en-1-amine
CID 8219
(Z)-hexacos-9-en-1-amine
CID 139899136
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(Z)-tetradec-7-en-1-amine
CID 10680019
(Z)-triacont-9-en-1-amine
CID 139626552
hexatriacont-9-en-1-amine
CID 154086335

Frequently Asked Questions

What is the IUPAC name of (8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine?
The IUPAC name of (8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine (CID 138748896) is (8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine.
What is the SMILES notation for (8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine?
The canonical SMILES for (8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine is CCCC/C=C/C/C=C(/CCCCCCN)C(CC/C=C/CCCC)CCCCCCN.
What is the InChIKey of (8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine?
The InChIKey is OHGHVSBFZRMYJA-XYEBVNFUSA-N. The full InChI is InChI=1S/C30H58N2/c1-3-5-7-9-11-17-23-29(25-19-13-15-21-27-31)30(26-20-14-16-22-28-32)24-18-12-10-8-6-4-2/h9-12,23,30H,3-8,13-22,24-28,31-32H2,1-2H3/b11-9+,12-10+,29-23-.
What are the key properties of (8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine?
(8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine has a molecular weight of 446.81 g/mol, XLogP of 9.01, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-7-[(E)-oct-3-enyl]-8-[(E)-oct-3-enylidene]tetradecane-1,14-diamine is sourced from PubChem (CID 138748896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).