(Z)-2-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine

C13H15N3 — CID 145050756

IUPAC(Z)-2-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1ccc(=C/N=C)/c(=C\C)c1
InChIInChI=1S/C13H15N3/c1-3-10-6-11(13(7-14)8-15)4-5-12(10)9-16-2/h3-9,14H,2,15H2,1H3/b10-3-,12-9-,13-8+,14-7+
InChIKeyWAUSYVCDEYCPPV-NSDQDBKXSA-N
MW213.28 g/mol
LogP0.87
Rot. Bonds3

About (Z)-2-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine

(Z)-2-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine (PubChem CID 145050756) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (Z)-2-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine
PubChem CID145050756
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name(Z)-2-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1ccc(=C/N=C)/c(=C\C)c1
InChIInChI=1S/C13H15N3/c1-3-10-6-11(13(7-14)8-15)4-5-12(10)9-16-2/h3-9,14H,2,15H2,1H3/b10-3-,12-9-,13-8+,14-7+
InChIKeyWAUSYVCDEYCPPV-NSDQDBKXSA-N
XLogP0.87
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine (CID 145050756) is (Z)-2-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)c1ccc(=C/N=C)/c(=C\C)c1.
What is the InChIKey of (Z)-2-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine?
The InChIKey is WAUSYVCDEYCPPV-NSDQDBKXSA-N. The full InChI is InChI=1S/C13H15N3/c1-3-10-6-11(13(7-14)8-15)4-5-12(10)9-16-2/h3-9,14H,2,15H2,1H3/b10-3-,12-9-,13-8+,14-7+.
What are the key properties of (Z)-2-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine?
(Z)-2-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine has a molecular weight of 213.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(3Z,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 145050756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).