(4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine

C12H20N2 — CID 170971963

IUPAC(4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine
SMILESC=CC/C(=C\C(=C/N=C)C(C)C)NC
InChIInChI=1S/C12H20N2/c1-6-7-12(14-5)8-11(9-13-4)10(2)3/h6,8-10,14H,1,4,7H2,2-3,5H3/b11-9+,12-8+
InChIKeyIVAQJIIZQRHZQW-FYDMFQIUSA-N
MW192.31 g/mol
LogP2.91
Rot. Bonds6

About (4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine

(4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine (PubChem CID 170971963) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine.

Molecular Properties

Compound Name(4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine
PubChem CID170971963
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine
SMILESC=CC/C(=C\C(=C/N=C)C(C)C)NC
InChIInChI=1S/C12H20N2/c1-6-7-12(14-5)8-11(9-13-4)10(2)3/h6,8-10,14H,1,4,7H2,2-3,5H3/b11-9+,12-8+
InChIKeyIVAQJIIZQRHZQW-FYDMFQIUSA-N
XLogP2.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 173982628
methylidene(propan-2-yl)azanium;N,5,6-trimethylhepta-1,3,5-trien-1-amine
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N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine
CID 59893816
4-methylidene-2,3-di(propan-2-yl)-1H-pyridine
CID 60125671
N-[(2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine
CID 72589881
(1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine
CID 88905965
4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine
CID 88909574
(3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine
CID 89049676
(1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine
CID 89145507
(2Z,4E,8Z,10Z)-N-cyclohexa-1,3-dien-1-yl-7-methyl-6-methylidene-1-azacycloundeca-2,4,8,10-tetraen-5-amine
CID 89530991

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine?
The IUPAC name of (4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine (CID 170971963) is (4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine.
What is the SMILES notation for (4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine?
The canonical SMILES for (4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine is C=CC/C(=C\C(=C/N=C)C(C)C)NC.
What is the InChIKey of (4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine?
The InChIKey is IVAQJIIZQRHZQW-FYDMFQIUSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-7-12(14-5)8-11(9-13-4)10(2)3/h6,8-10,14H,1,4,7H2,2-3,5H3/b11-9+,12-8+.
What are the key properties of (4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine?
(4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine has a molecular weight of 192.31 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine is sourced from PubChem (CID 170971963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).