(Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine

C27H47N — CID 130325532

IUPAC(Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine
SMILESC=C/C(=C/N=C(\C=C/C)C(CCCC)C1CCCC1)CC(C)C(C)(CC)CC
InChIInChI=1S/C27H47N/c1-8-13-19-25(24-17-14-15-18-24)26(16-9-2)28-21-23(10-3)20-22(6)27(7,11-4)12-5/h9-10,16,21-22,24-25H,3,8,11-15,17-20H2,1-2,4-7H3/b16-9-,23-21-,28-26+
InChIKeyFZZBSZMTBHKKDP-IHLZHXRZSA-N
MW385.68 g/mol
LogP8.92
Rot. Bonds13

About (Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine

(Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine (PubChem CID 130325532) has the molecular formula C27H47N and a molecular weight of 385.68 g/mol. Its IUPAC name is (Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine.

Molecular Properties

Compound Name(Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine
PubChem CID130325532
Molecular FormulaC27H47N
Molecular Weight385.68 g/mol
Exact Mass385.37
IUPAC Name(Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine
SMILESC=C/C(=C/N=C(\C=C/C)C(CCCC)C1CCCC1)CC(C)C(C)(CC)CC
InChIInChI=1S/C27H47N/c1-8-13-19-25(24-17-14-15-18-24)26(16-9-2)28-21-23(10-3)20-22(6)27(7,11-4)12-5/h9-10,16,21-22,24-25H,3,8,11-15,17-20H2,1-2,4-7H3/b16-9-,23-21-,28-26+
InChIKeyFZZBSZMTBHKKDP-IHLZHXRZSA-N
XLogP8.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine?
The IUPAC name of (Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine (CID 130325532) is (Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine.
What is the SMILES notation for (Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine?
The canonical SMILES for (Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine is C=C/C(=C/N=C(\C=C/C)C(CCCC)C1CCCC1)CC(C)C(C)(CC)CC.
What is the InChIKey of (Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine?
The InChIKey is FZZBSZMTBHKKDP-IHLZHXRZSA-N. The full InChI is InChI=1S/C27H47N/c1-8-13-19-25(24-17-14-15-18-24)26(16-9-2)28-21-23(10-3)20-22(6)27(7,11-4)12-5/h9-10,16,21-22,24-25H,3,8,11-15,17-20H2,1-2,4-7H3/b16-9-,23-21-,28-26+.
What are the key properties of (Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine?
(Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine has a molecular weight of 385.68 g/mol, XLogP of 8.92, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-cyclopentyl-N-[(E)-2-ethenyl-5-ethyl-4,5-dimethylhept-1-enyl]non-2-en-4-imine is sourced from PubChem (CID 130325532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).