(3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine

C11H20N2 — CID 155324078

IUPAC(3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine
SMILESC=NNC(=C)/C=C(/C)CCC(C)C
InChIInChI=1S/C11H20N2/c1-9(2)6-7-10(3)8-11(4)13-12-5/h8-9,13H,4-7H2,1-3H3/b10-8-
InChIKeyGEIXOFFDEMHJLL-NTMALXAHSA-N
MW180.29 g/mol
LogP3.09
Rot. Bonds6

About (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine

(3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine (PubChem CID 155324078) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine
PubChem CID155324078
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine
SMILESC=NNC(=C)/C=C(/C)CCC(C)C
InChIInChI=1S/C11H20N2/c1-9(2)6-7-10(3)8-11(4)13-12-5/h8-9,13H,4-7H2,1-3H3/b10-8-
InChIKeyGEIXOFFDEMHJLL-NTMALXAHSA-N
XLogP3.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
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 (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine?
The IUPAC name of (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine (CID 155324078) is (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine?
The canonical SMILES for (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine is C=NNC(=C)/C=C(/C)CCC(C)C.
What is the InChIKey of (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine?
The InChIKey is GEIXOFFDEMHJLL-NTMALXAHSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)6-7-10(3)8-11(4)13-12-5/h8-9,13H,4-7H2,1-3H3/b10-8-.
What are the key properties of (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine?
(3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine has a molecular weight of 180.29 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine is sourced from PubChem (CID 155324078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).