(4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine

C11H20N2 — CID 130181126

IUPAC(4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine
SMILESC=N/C(C(=C)C)=C(\C)CCCNC
InChIInChI=1S/C11H20N2/c1-9(2)11(13-5)10(3)7-6-8-12-4/h12H,1,5-8H2,2-4H3/b11-10+
InChIKeyFZQLPIIMFPKTIG-ZHACJKMWSA-N
MW180.29 g/mol
LogP2.54
Rot. Bonds6

About (4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine

(4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine (PubChem CID 130181126) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine
PubChem CID130181126
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine
SMILESC=N/C(C(=C)C)=C(\C)CCCNC
InChIInChI=1S/C11H20N2/c1-9(2)11(13-5)10(3)7-6-8-12-4/h12H,1,5-8H2,2-4H3/b11-10+
InChIKeyFZQLPIIMFPKTIG-ZHACJKMWSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine?
The IUPAC name of (4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine (CID 130181126) is (4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine.
What is the SMILES notation for (4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine?
The canonical SMILES for (4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine is C=N/C(C(=C)C)=C(\C)CCCNC.
What is the InChIKey of (4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine?
The InChIKey is FZQLPIIMFPKTIG-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)11(13-5)10(3)7-6-8-12-4/h12H,1,5-8H2,2-4H3/b11-10+.
What are the key properties of (4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine?
(4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine is sourced from PubChem (CID 130181126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).