(4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine

C15H26N2 — CID 129236613

IUPAC(4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine
SMILES[H]/N=C(/C)CC(/C(C)=C\C=C/C)=C(\CCC)NC
InChIInChI=1S/C15H26N2/c1-6-8-10-12(3)14(11-13(4)16)15(17-5)9-7-2/h6,8,10,16-17H,7,9,11H2,1-5H3/b8-6-,12-10-,15-14-,16-13-
InChIKeyQKSQWWCQMKBAJC-SBCKEULQSA-N
MW234.39 g/mol
LogP4.21
Rot. Bonds7

About (4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine

(4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine (PubChem CID 129236613) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine.

Molecular Properties

Compound Name(4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine
PubChem CID129236613
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine
SMILES[H]/N=C(/C)CC(/C(C)=C\C=C/C)=C(\CCC)NC
InChIInChI=1S/C15H26N2/c1-6-8-10-12(3)14(11-13(4)16)15(17-5)9-7-2/h6,8,10,16-17H,7,9,11H2,1-5H3/b8-6-,12-10-,15-14-,16-13-
InChIKeyQKSQWWCQMKBAJC-SBCKEULQSA-N
XLogP4.21
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine?
The IUPAC name of (4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine (CID 129236613) is (4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine.
What is the SMILES notation for (4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine?
The canonical SMILES for (4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine is [H]/N=C(/C)CC(/C(C)=C\C=C/C)=C(\CCC)NC.
What is the InChIKey of (4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine?
The InChIKey is QKSQWWCQMKBAJC-SBCKEULQSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-8-10-12(3)14(11-13(4)16)15(17-5)9-7-2/h6,8,10,16-17H,7,9,11H2,1-5H3/b8-6-,12-10-,15-14-,16-13-.
What are the key properties of (4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine?
(4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine has a molecular weight of 234.39 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine is sourced from PubChem (CID 129236613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).