(3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine

C28H40N2 — CID 155346817

IUPAC(3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(C)=C/C)NC(=C)/C(C)=N/C(C/C=C\C=C/C)=C(/C)C(=C)C1CCCC1
InChIInChI=1S/C28H40N2/c1-9-11-12-13-18-28(24(6)23(5)27-16-14-15-17-27)30-26(8)25(7)29-22(4)20-19-21(3)10-2/h9-13,19-20,27,29H,4-5,7,14-18H2,1-3,6,8H3/b11-9-,13-12-,20-19-,21-10-,28-24-,30-26+
InChIKeyUPTZAYYQSTZMAW-MTJAQNSUSA-N
MW404.64 g/mol
LogP8.13
Rot. Bonds11

About (3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine

(3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine (PubChem CID 155346817) has the molecular formula C28H40N2 and a molecular weight of 404.64 g/mol. Its IUPAC name is (3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine
PubChem CID155346817
Molecular FormulaC28H40N2
Molecular Weight404.64 g/mol
Exact Mass404.32
IUPAC Name(3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(C)=C/C)NC(=C)/C(C)=N/C(C/C=C\C=C/C)=C(/C)C(=C)C1CCCC1
InChIInChI=1S/C28H40N2/c1-9-11-12-13-18-28(24(6)23(5)27-16-14-15-17-27)30-26(8)25(7)29-22(4)20-19-21(3)10-2/h9-13,19-20,27,29H,4-5,7,14-18H2,1-3,6,8H3/b11-9-,13-12-,20-19-,21-10-,28-24-,30-26+
InChIKeyUPTZAYYQSTZMAW-MTJAQNSUSA-N
XLogP8.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 58.13
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'}

Analyze (3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine (CID 155346817) is (3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine is C=C(/C=C\C(C)=C/C)NC(=C)/C(C)=N/C(C/C=C\C=C/C)=C(/C)C(=C)C1CCCC1.
What is the InChIKey of (3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine?
The InChIKey is UPTZAYYQSTZMAW-MTJAQNSUSA-N. The full InChI is InChI=1S/C28H40N2/c1-9-11-12-13-18-28(24(6)23(5)27-16-14-15-17-27)30-26(8)25(7)29-22(4)20-19-21(3)10-2/h9-13,19-20,27,29H,4-5,7,14-18H2,1-3,6,8H3/b11-9-,13-12-,20-19-,21-10-,28-24-,30-26+.
What are the key properties of (3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine?
(3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine has a molecular weight of 404.64 g/mol, XLogP of 8.13, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-[3-[(3Z,6Z,8Z)-2-cyclopentyl-3-methyldeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-yl]-5-methylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 155346817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).