(3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine

C10H16N2 — CID 166168982

IUPAC(3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
SMILESC=NN(C)/C(=C/C=C\C)C(=C)C
InChIInChI=1S/C10H16N2/c1-6-7-8-10(9(2)3)12(5)11-4/h6-8H,2,4H2,1,3,5H3/b7-6-,10-8+
InChIKeyFFNZDOBAXJTJFZ-VAAURPRASA-N
MW164.25 g/mol
LogP2.57
Rot. Bonds4

About (3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine

(3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine (PubChem CID 166168982) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
PubChem CID166168982
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
SMILESC=NN(C)/C(=C/C=C\C)C(=C)C
InChIInChI=1S/C10H16N2/c1-6-7-8-10(9(2)3)12(5)11-4/h6-8H,2,4H2,1,3,5H3/b7-6-,10-8+
InChIKeyFFNZDOBAXJTJFZ-VAAURPRASA-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 (3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine (CID 166168982) is (3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine is C=NN(C)/C(=C/C=C\C)C(=C)C.
What is the InChIKey of (3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine?
The InChIKey is FFNZDOBAXJTJFZ-VAAURPRASA-N. The full InChI is InChI=1S/C10H16N2/c1-6-7-8-10(9(2)3)12(5)11-4/h6-8H,2,4H2,1,3,5H3/b7-6-,10-8+.
What are the key properties of (3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine?
(3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-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 (3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine is sourced from PubChem (CID 166168982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).