(3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine

C20H34N2 — CID 177019101

IUPAC(3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
SMILESC/C=N/C(C)=C(C(=C\CCC)/C1CCCC1)\C(N)=C(/C)CC
InChIInChI=1S/C20H34N2/c1-6-9-14-18(17-12-10-11-13-17)19(16(5)22-8-3)20(21)15(4)7-2/h8,14,17H,6-7,9-13,21H2,1-5H3/b18-14-,19-16-,20-15-,22-8+
InChIKeyUQTVYAHIZBUFHL-TVRMQVFBSA-N
MW302.51 g/mol
LogP5.91
Rot. Bonds7

About (3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine

(3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine (PubChem CID 177019101) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is (3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine.

Molecular Properties

Compound Name(3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
PubChem CID177019101
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name(3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
SMILESC/C=N/C(C)=C(C(=C\CCC)/C1CCCC1)\C(N)=C(/C)CC
InChIInChI=1S/C20H34N2/c1-6-9-14-18(17-12-10-11-13-17)19(16(5)22-8-3)20(21)15(4)7-2/h8,14,17H,6-7,9-13,21H2,1-5H3/b18-14-,19-16-,20-15-,22-8+
InChIKeyUQTVYAHIZBUFHL-TVRMQVFBSA-N
XLogP5.91
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.91
H-Bond Donors ≤ 51
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 (3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine?
The IUPAC name of (3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine (CID 177019101) is (3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine.
What is the SMILES notation for (3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine?
The canonical SMILES for (3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine is C/C=N/C(C)=C(C(=C\CCC)/C1CCCC1)\C(N)=C(/C)CC.
What is the InChIKey of (3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine?
The InChIKey is UQTVYAHIZBUFHL-TVRMQVFBSA-N. The full InChI is InChI=1S/C20H34N2/c1-6-9-14-18(17-12-10-11-13-17)19(16(5)22-8-3)20(21)15(4)7-2/h8,14,17H,6-7,9-13,21H2,1-5H3/b18-14-,19-16-,20-15-,22-8+.
What are the key properties of (3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine?
(3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine has a molecular weight of 302.51 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,6Z)-6-cyclopentyl-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine is sourced from PubChem (CID 177019101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).