(1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine

C15H22N2 — CID 89011076

IUPAC(1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine
SMILESC/C=C\N=C/C=C1/CC(C)C1/C=C\C(N)=C/C
InChIInChI=1S/C15H22N2/c1-4-9-17-10-8-13-11-12(3)15(13)7-6-14(16)5-2/h4-10,12,15H,11,16H2,1-3H3/b7-6-,9-4-,13-8-,14-5+,17-10-
InChIKeyYEICPXPWSPXKHH-YOTFIPAVSA-N
MW230.36 g/mol
LogP3.59
Rot. Bonds4

About (1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine

(1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine (PubChem CID 89011076) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is (1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine.

Molecular Properties

Compound Name(1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine
PubChem CID89011076
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name(1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine
SMILESC/C=C\N=C/C=C1/CC(C)C1/C=C\C(N)=C/C
InChIInChI=1S/C15H22N2/c1-4-9-17-10-8-13-11-12(3)15(13)7-6-14(16)5-2/h4-10,12,15H,11,16H2,1-3H3/b7-6-,9-4-,13-8-,14-5+,17-10-
InChIKeyYEICPXPWSPXKHH-YOTFIPAVSA-N
XLogP3.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.59
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 (1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine?
The IUPAC name of (1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine (CID 89011076) is (1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine.
What is the SMILES notation for (1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine?
The canonical SMILES for (1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine is C/C=C\N=C/C=C1/CC(C)C1/C=C\C(N)=C/C.
What is the InChIKey of (1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine?
The InChIKey is YEICPXPWSPXKHH-YOTFIPAVSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-9-17-10-8-13-11-12(3)15(13)7-6-14(16)5-2/h4-10,12,15H,11,16H2,1-3H3/b7-6-,9-4-,13-8-,14-5+,17-10-.
What are the key properties of (1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine?
(1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine has a molecular weight of 230.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine is sourced from PubChem (CID 89011076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).