(2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine

C10H18N2 — CID 142543030

IUPAC(2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine
SMILESC=N/C(=C(N)\C(C)=C/C)C(C)C
InChIInChI=1S/C10H18N2/c1-6-8(4)9(11)10(12-5)7(2)3/h6-7H,5,11H2,1-4H3/b8-6-,10-9+
InChIKeyGBROHMHLLODTOD-JWJWWGMXSA-N
MW166.27 g/mol
LogP2.48
Rot. Bonds3

About (2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine

(2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine (PubChem CID 142543030) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine
PubChem CID142543030
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine
SMILESC=N/C(=C(N)\C(C)=C/C)C(C)C
InChIInChI=1S/C10H18N2/c1-6-8(4)9(11)10(12-5)7(2)3/h6-7H,5,11H2,1-4H3/b8-6-,10-9+
InChIKeyGBROHMHLLODTOD-JWJWWGMXSA-N
XLogP2.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.48
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

N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine
CID 89325079
N-[(5Z)-4-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-yl]methanimine
CID 89502555
2-Butylidene-5-[1-(methylideneamino)ethylidene]nona-3,6-diene-1,9-diamine
CID 91291281
N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine
CID 123154101
N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine
CID 123924179
(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
CID 126593736
(3E)-5-methylidene-4-(methylideneamino)-2-prop-2-enyliminohepta-3,6-dien-3-amine
CID 126593773
N-[(3Z)-4,6-dimethylhepta-3,5-dien-3-yl]methanimine
CID 126639407
N-[(3Z,5Z)-2,5-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129111757
N-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine
CID 130317733

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine?
The IUPAC name of (2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine (CID 142543030) is (2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine.
What is the SMILES notation for (2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine?
The canonical SMILES for (2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine is C=N/C(=C(N)\C(C)=C/C)C(C)C.
What is the InChIKey of (2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine?
The InChIKey is GBROHMHLLODTOD-JWJWWGMXSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-8(4)9(11)10(12-5)7(2)3/h6-7H,5,11H2,1-4H3/b8-6-,10-9+.
What are the key properties of (2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine?
(2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine has a molecular weight of 166.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-4-amine is sourced from PubChem (CID 142543030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).