(3Z)-3-tridecylidenehexane-1,6-diamine

C19H40N2 — CID 143379143

IUPAC(3Z)-3-tridecylidenehexane-1,6-diamine
SMILESCCCCCCCCCCCC/C=C(\CCN)CCCN
InChIInChI=1S/C19H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-14-19(16-18-21)15-13-17-20/h14H,2-13,15-18,20-21H2,1H3/b19-14-
InChIKeyRLCGZJVIXNVIPU-RGEXLXHISA-N
MW296.54 g/mol
LogP5.31
Rot. Bonds16

About (3Z)-3-tridecylidenehexane-1,6-diamine

(3Z)-3-tridecylidenehexane-1,6-diamine (PubChem CID 143379143) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is (3Z)-3-tridecylidenehexane-1,6-diamine.

Molecular Properties

Compound Name(3Z)-3-tridecylidenehexane-1,6-diamine
PubChem CID143379143
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name(3Z)-3-tridecylidenehexane-1,6-diamine
SMILESCCCCCCCCCCCC/C=C(\CCN)CCCN
InChIInChI=1S/C19H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-14-19(16-18-21)15-13-17-20/h14H,2-13,15-18,20-21H2,1H3/b19-14-
InChIKeyRLCGZJVIXNVIPU-RGEXLXHISA-N
XLogP5.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 55.31
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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Related Compounds

(Z)-4-(methoxymethyl)undec-4-en-1-amine
CID 103392101
4-(3-aminopropyl)oct-4-ene-1,8-diamine
CID 20545797
6-ethyltridec-6-ene
CID 123238287
5-ethyltetradec-5-ene
CID 54129215
(Z)-7-ethyltetradec-7-ene
CID 134978641
(E)-6-butylpentadec-6-en-1-ol
CID 10265818
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
28-hexylpentaconta-1,28-diene
CID 90932256
5-butyldec-5-ene
CID 15367252
(E)-2-pentylnon-2-en-1-ol
CID 87912407
15-ethylheptadec-14-en-1-amine
CID 171060797
5-butylicos-4-ene
CID 54084142

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-tridecylidenehexane-1,6-diamine?
The IUPAC name of (3Z)-3-tridecylidenehexane-1,6-diamine (CID 143379143) is (3Z)-3-tridecylidenehexane-1,6-diamine.
What is the SMILES notation for (3Z)-3-tridecylidenehexane-1,6-diamine?
The canonical SMILES for (3Z)-3-tridecylidenehexane-1,6-diamine is CCCCCCCCCCCC/C=C(\CCN)CCCN.
What is the InChIKey of (3Z)-3-tridecylidenehexane-1,6-diamine?
The InChIKey is RLCGZJVIXNVIPU-RGEXLXHISA-N. The full InChI is InChI=1S/C19H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-14-19(16-18-21)15-13-17-20/h14H,2-13,15-18,20-21H2,1H3/b19-14-.
What are the key properties of (3Z)-3-tridecylidenehexane-1,6-diamine?
(3Z)-3-tridecylidenehexane-1,6-diamine has a molecular weight of 296.54 g/mol, XLogP of 5.31, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-tridecylidenehexane-1,6-diamine is sourced from PubChem (CID 143379143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).