(1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine

C13H17N3 — CID 162527886

IUPAC(1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine
SMILESC=C/C(N)=C1/C=C(C(=C)N=C)CC/C1=N\C
InChIInChI=1S/C13H17N3/c1-5-12(14)11-8-10(9(2)15-3)6-7-13(11)16-4/h5,8H,1-3,6-7,14H2,4H3/b12-11+,16-13+
InChIKeyGQNRWLVOFFLJQN-VUWKKMCJSA-N
MW215.30 g/mol
LogP2.39
Rot. Bonds3

About (1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine

(1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine (PubChem CID 162527886) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine.

Molecular Properties

Compound Name(1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine
PubChem CID162527886
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine
SMILESC=C/C(N)=C1/C=C(C(=C)N=C)CC/C1=N\C
InChIInChI=1S/C13H17N3/c1-5-12(14)11-8-10(9(2)15-3)6-7-13(11)16-4/h5,8H,1-3,6-7,14H2,4H3/b12-11+,16-13+
InChIKeyGQNRWLVOFFLJQN-VUWKKMCJSA-N
XLogP2.39
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1,1-Difluorobut-3-enyl)cyclohexa-1,3-dien-1-yl]iminohex-2-ene-1,2-diamine
CID 162569566
2-(2-methyl-7H-indol-3-yl)ethanamine
CID 67231108
(2E,4Z)-5-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hepta-2,4-dien-4-amine
CID 88224971
(5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine
CID 89188349
(2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine
CID 89441659
(Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine
CID 89441676
1-(6H-indol-7-yl)butan-2-amine
CID 91003537
(4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine
CID 91436110
3-(4-Butyl-6-ethylidene-2-methylpyrimidin-5-ylidene)prop-2-en-1-imine
CID 123783644
(4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine
CID 123953591
1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine
CID 130394109
4-(2-Methyliminopropyl)cyclopenta-1,3-dien-1-amine
CID 132124213

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine?
The IUPAC name of (1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine (CID 162527886) is (1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine.
What is the SMILES notation for (1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine?
The canonical SMILES for (1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine is C=C/C(N)=C1/C=C(C(=C)N=C)CC/C1=N\C.
What is the InChIKey of (1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine?
The InChIKey is GQNRWLVOFFLJQN-VUWKKMCJSA-N. The full InChI is InChI=1S/C13H17N3/c1-5-12(14)11-8-10(9(2)15-3)6-7-13(11)16-4/h5,8H,1-3,6-7,14H2,4H3/b12-11+,16-13+.
What are the key properties of (1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine?
(1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[3-[1-(methylideneamino)ethenyl]-6-methyliminocyclohex-2-en-1-ylidene]prop-2-en-1-amine is sourced from PubChem (CID 162527886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).