(3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine

C18H27N — CID 144575288

IUPAC(3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine
SMILESC=C/C=C1/CC(NC(/C=C\C)=C/C(C)C)C/C1=C/C
InChIInChI=1S/C18H27N/c1-6-9-16-13-18(12-15(16)8-3)19-17(10-7-2)11-14(4)5/h6-11,14,18-19H,1,12-13H2,2-5H3/b10-7-,15-8-,16-9-,17-11+
InChIKeyBVZOWYDPQKYPEP-IWSBXKPHSA-N
MW257.42 g/mol
LogP4.91
Rot. Bonds5

About (3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine

(3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine (PubChem CID 144575288) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is (3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine.

Molecular Properties

Compound Name(3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine
PubChem CID144575288
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name(3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine
SMILESC=C/C=C1/CC(NC(/C=C\C)=C/C(C)C)C/C1=C/C
InChIInChI=1S/C18H27N/c1-6-9-16-13-18(12-15(16)8-3)19-17(10-7-2)11-14(4)5/h6-11,14,18-19H,1,12-13H2,2-5H3/b10-7-,15-8-,16-9-,17-11+
InChIKeyBVZOWYDPQKYPEP-IWSBXKPHSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine?
The IUPAC name of (3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine (CID 144575288) is (3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine.
What is the SMILES notation for (3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine?
The canonical SMILES for (3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine is C=C/C=C1/CC(NC(/C=C\C)=C/C(C)C)C/C1=C/C.
What is the InChIKey of (3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine?
The InChIKey is BVZOWYDPQKYPEP-IWSBXKPHSA-N. The full InChI is InChI=1S/C18H27N/c1-6-9-16-13-18(12-15(16)8-3)19-17(10-7-2)11-14(4)5/h6-11,14,18-19H,1,12-13H2,2-5H3/b10-7-,15-8-,16-9-,17-11+.
What are the key properties of (3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine?
(3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3-ethylidene-N-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine is sourced from PubChem (CID 144575288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).