(Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine

C13H18N2 — CID 89441676

IUPAC(Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine
SMILESC=C1C=CC=C/C1=N\C(C)=C(/N)CCC
InChIInChI=1S/C13H18N2/c1-4-7-12(14)11(3)15-13-9-6-5-8-10(13)2/h5-6,8-9H,2,4,7,14H2,1,3H3/b12-11-,15-13+
InChIKeyNHOVBQOVKZSULM-XGRKLIJNSA-N
MW202.30 g/mol
LogP3.10
Rot. Bonds3

About (Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine

(Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine (PubChem CID 89441676) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine.

Molecular Properties

Compound Name(Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine
PubChem CID89441676
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine
SMILESC=C1C=CC=C/C1=N\C(C)=C(/N)CCC
InChIInChI=1S/C13H18N2/c1-4-7-12(14)11(3)15-13-9-6-5-8-10(13)2/h5-6,8-9H,2,4,7,14H2,1,3H3/b12-11-,15-13+
InChIKeyNHOVBQOVKZSULM-XGRKLIJNSA-N
XLogP3.10
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine?
The IUPAC name of (Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine (CID 89441676) is (Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine.
What is the SMILES notation for (Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine?
The canonical SMILES for (Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine is C=C1C=CC=C/C1=N\C(C)=C(/N)CCC.
What is the InChIKey of (Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine?
The InChIKey is NHOVBQOVKZSULM-XGRKLIJNSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-7-12(14)11(3)15-13-9-6-5-8-10(13)2/h5-6,8-9H,2,4,7,14H2,1,3H3/b12-11-,15-13+.
What are the key properties of (Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine?
(Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine has a molecular weight of 202.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine is sourced from PubChem (CID 89441676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).