(4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine

C10H16N2 — CID 145153596

IUPAC(4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C(C)C)N(C)N=C
InChIInChI=1S/C10H16N2/c1-6-7-8-10(9(2)3)12(5)11-4/h6-8H,1,4H2,2-3,5H3/b8-7-
InChIKeyBCGHHHLSCZRVDF-FPLPWBNLSA-N
MW164.25 g/mol
LogP2.57
Rot. Bonds4

About (4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine

(4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine (PubChem CID 145153596) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine
PubChem CID145153596
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C(C)C)N(C)N=C
InChIInChI=1S/C10H16N2/c1-6-7-8-10(9(2)3)12(5)11-4/h6-8H,1,4H2,2-3,5H3/b8-7-
InChIKeyBCGHHHLSCZRVDF-FPLPWBNLSA-N
XLogP2.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine?
The IUPAC name of (4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine (CID 145153596) is (4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine?
The canonical SMILES for (4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine is C=C/C=C\C(=C(C)C)N(C)N=C.
What is the InChIKey of (4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine?
The InChIKey is BCGHHHLSCZRVDF-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H16N2/c1-6-7-8-10(9(2)3)12(5)11-4/h6-8H,1,4H2,2-3,5H3/b8-7-.
What are the key properties of (4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine?
(4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine has a molecular weight of 164.25 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 145153596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).