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

C11H22N2 — CID 166117622

IUPAC(4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane
SMILESC=NN(C)C(/C=C\C)=C(C)C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-6-7-9(8(2)3)11(5)10-4;1-2/h6-7H,4H2,1-3,5H3;1-2H3/b7-6-;
InChIKeyUENYVQJAGDKBLU-NAFXZHHSSA-N
MW182.31 g/mol
LogP3.43
Rot. Bonds3

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

(4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane (PubChem CID 166117622) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane.

Molecular Properties

Compound Name(4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane
PubChem CID166117622
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane
SMILESC=NN(C)C(/C=C\C)=C(C)C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-6-7-9(8(2)3)11(5)10-4;1-2/h6-7H,4H2,1-3,5H3;1-2H3/b7-6-;
InChIKeyUENYVQJAGDKBLU-NAFXZHHSSA-N
XLogP3.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.43
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;ethane?
The IUPAC name of (4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane (CID 166117622) is (4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane.
What is the SMILES notation for (4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane?
The canonical SMILES for (4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane is C=NN(C)C(/C=C\C)=C(C)C.CC.
What is the InChIKey of (4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane?
The InChIKey is UENYVQJAGDKBLU-NAFXZHHSSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-6-7-9(8(2)3)11(5)10-4;1-2/h6-7H,4H2,1-3,5H3;1-2H3/b7-6-;.
What are the key properties of (4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane?
(4Z)-N,2-dimethyl-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane has a molecular weight of 182.31 g/mol, XLogP of 3.43, 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;ethane is sourced from PubChem (CID 166117622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).