(E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine

C14H29N3 — CID 88940373

IUPAC(E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine
SMILESCCCCCC/C=C/N/N=N/CCCC(C)C
InChIInChI=1S/C14H29N3/c1-4-5-6-7-8-9-12-15-17-16-13-10-11-14(2)3/h9,12,14H,4-8,10-11,13H2,1-3H3,(H,15,16)/b12-9+
InChIKeyGKCVWHARGZJZKU-FMIVXFBMSA-N
MW239.41 g/mol
LogP4.86
Rot. Bonds11

About (E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine

(E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine (PubChem CID 88940373) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is (E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine
PubChem CID88940373
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name(E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine
SMILESCCCCCC/C=C/N/N=N/CCCC(C)C
InChIInChI=1S/C14H29N3/c1-4-5-6-7-8-9-12-15-17-16-13-10-11-14(2)3/h9,12,14H,4-8,10-11,13H2,1-3H3,(H,15,16)/b12-9+
InChIKeyGKCVWHARGZJZKU-FMIVXFBMSA-N
XLogP4.86
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylhenicos-9-ene
CID 54211724
(E)-2-methylheptadec-7-ene
CID 173124832
(Z)-22-methyltricos-9-ene
CID 152752766
(E)-2-methylheptadec-8-ene
CID 20541049
(Z)-11-methyldodec-5-ene
CID 159147265
(22E)-heptatetraconta-22,24-diene
CID 56629131
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
2-methyloctacosane
CID 519147
2-methyldecane
CID 23415

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine?
The IUPAC name of (E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine (CID 88940373) is (E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine.
What is the SMILES notation for (E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine?
The canonical SMILES for (E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine is CCCCCC/C=C/N/N=N/CCCC(C)C.
What is the InChIKey of (E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine?
The InChIKey is GKCVWHARGZJZKU-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-5-6-7-8-9-12-15-17-16-13-10-11-14(2)3/h9,12,14H,4-8,10-11,13H2,1-3H3,(H,15,16)/b12-9+.
What are the key properties of (E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine?
(E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine has a molecular weight of 239.41 g/mol, XLogP of 4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine is sourced from PubChem (CID 88940373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).