(4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine

C11H18N2 — CID 123656422

IUPAC(4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C/C(C)=C(/CN=C)C(=C)C
InChIInChI=1S/C11H18N2/c1-8(2)11(7-13-5)9(3)6-10(4)12/h12H,1,5-7H2,2-4H3/b11-9-,12-10+
InChIKeySBGGQTDOUGOMJE-DSOJMZEYSA-N
MW178.28 g/mol
LogP3.01
Rot. Bonds5

About (4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine

(4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine (PubChem CID 123656422) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine.

Molecular Properties

Compound Name(4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine
PubChem CID123656422
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C/C(C)=C(/CN=C)C(=C)C
InChIInChI=1S/C11H18N2/c1-8(2)11(7-13-5)9(3)6-10(4)12/h12H,1,5-7H2,2-4H3/b11-9-,12-10+
InChIKeySBGGQTDOUGOMJE-DSOJMZEYSA-N
XLogP3.01
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.01
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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Related Compounds

2-[(E,3E)-3-ethylidene-4-methylhex-4-en-2-yl]imino-3-fluorobutan-1-amine
CID 126687205
(3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine
CID 123559099
1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine
CID 123987371
(4E,6E)-4,5,6-trimethyl-7-N-methylideneocta-4,6-diene-2,7-diimine
CID 124004514
[7-[(1E)-buta-1,3-dienyl]-4-methyl-3,6-dihydro-2H-azepin-5-yl]methanimine
CID 126612267
(2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine
CID 143882553
(2Z)-2-ethylidene-3-ethyliminopentan-1-amine
CID 144144986
(2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine
CID 145498143
(E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine
CID 163547206
(3E)-2,6-dimethyl-3-(methylideneamino)-5-methyliminohepta-1,3,6-trien-4-amine
CID 169652125
(E)-3-(2,5-dimethyl-2H-pyrrol-4-yl)but-2-en-1-imine
CID 170054521
1-[3-(butan-2-ylideneamino)-5-methylidene-4H-pyridin-2-yl]propa-1,2-dien-1-amine
CID 176534202

Frequently Asked Questions

What is the IUPAC name of (4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine?
The IUPAC name of (4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine (CID 123656422) is (4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine.
What is the SMILES notation for (4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine?
The canonical SMILES for (4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine is [H]/N=C(\C)C/C(C)=C(/CN=C)C(=C)C.
What is the InChIKey of (4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine?
The InChIKey is SBGGQTDOUGOMJE-DSOJMZEYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)11(7-13-5)9(3)6-10(4)12/h12H,1,5-7H2,2-4H3/b11-9-,12-10+.
What are the key properties of (4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine?
(4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine has a molecular weight of 178.28 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine is sourced from PubChem (CID 123656422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).