(4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine

C9H16N2 — CID 166117623

IUPAC(4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine
SMILESC=NN(C)C(/C=C\C)=C(C)C
InChIInChI=1S/C9H16N2/c1-6-7-9(8(2)3)11(5)10-4/h6-7H,4H2,1-3,5H3/b7-6-
InChIKeyATNUXEOEQIBUDZ-SREVYHEPSA-N
MW152.24 g/mol
LogP2.40
Rot. Bonds3

About (4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine

(4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine (PubChem CID 166117623) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine
PubChem CID166117623
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine
SMILESC=NN(C)C(/C=C\C)=C(C)C
InChIInChI=1S/C9H16N2/c1-6-7-9(8(2)3)11(5)10-4/h6-7H,4H2,1-3,5H3/b7-6-
InChIKeyATNUXEOEQIBUDZ-SREVYHEPSA-N
XLogP2.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.40
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)hexa-2,4-dien-3-amine?
The IUPAC name of (4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine (CID 166117623) is (4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine.
What is the SMILES notation for (4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine?
The canonical SMILES for (4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine is C=NN(C)C(/C=C\C)=C(C)C.
What is the InChIKey of (4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine?
The InChIKey is ATNUXEOEQIBUDZ-SREVYHEPSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-7-9(8(2)3)11(5)10-4/h6-7H,4H2,1-3,5H3/b7-6-.
What are the key properties of (4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine?
(4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine has a molecular weight of 152.24 g/mol, XLogP of 2.40, 3 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)hexa-2,4-dien-3-amine is sourced from PubChem (CID 166117623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).