(3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine

C11H18N2 — CID 166786271

IUPAC(3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine
SMILESC=NN(C)C(=C)/C(C)=C\C=C(C)C
InChIInChI=1S/C11H18N2/c1-9(2)7-8-10(3)11(4)13(6)12-5/h7-8H,4-5H2,1-3,6H3/b10-8-
InChIKeyQLGYNGJIDVWGPE-NTMALXAHSA-N
MW178.28 g/mol
LogP2.96
Rot. Bonds4

About (3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine

(3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine (PubChem CID 166786271) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine
PubChem CID166786271
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine
SMILESC=NN(C)C(=C)/C(C)=C\C=C(C)C
InChIInChI=1S/C11H18N2/c1-9(2)7-8-10(3)11(4)13(6)12-5/h7-8H,4-5H2,1-3,6H3/b10-8-
InChIKeyQLGYNGJIDVWGPE-NTMALXAHSA-N
XLogP2.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.96
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 (3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine (CID 166786271) is (3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine is C=NN(C)C(=C)/C(C)=C\C=C(C)C.
What is the InChIKey of (3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine?
The InChIKey is QLGYNGJIDVWGPE-NTMALXAHSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)7-8-10(3)11(4)13(6)12-5/h7-8H,4-5H2,1-3,6H3/b10-8-.
What are the key properties of (3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine?
(3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine is sourced from PubChem (CID 166786271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).