(3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine

C11H18N2 — CID 155197740

IUPAC(3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine
SMILESC=CN(N=C)/C(=C/C=C(C)C)CC
InChIInChI=1S/C11H18N2/c1-6-11(9-8-10(3)4)13(7-2)12-5/h7-9H,2,5-6H2,1,3-4H3/b11-9+
InChIKeySLWILGPMZDMVFQ-PKNBQFBNSA-N
MW178.28 g/mol
LogP3.31
Rot. Bonds5

About (3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine

(3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine (PubChem CID 155197740) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine
PubChem CID155197740
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine
SMILESC=CN(N=C)/C(=C/C=C(C)C)CC
InChIInChI=1S/C11H18N2/c1-6-11(9-8-10(3)4)13(7-2)12-5/h7-9H,2,5-6H2,1,3-4H3/b11-9+
InChIKeySLWILGPMZDMVFQ-PKNBQFBNSA-N
XLogP3.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.31
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 (3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine?
The IUPAC name of (3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine (CID 155197740) is (3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine.
What is the SMILES notation for (3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine?
The canonical SMILES for (3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine is C=CN(N=C)/C(=C/C=C(C)C)CC.
What is the InChIKey of (3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine?
The InChIKey is SLWILGPMZDMVFQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-11(9-8-10(3)4)13(7-2)12-5/h7-9H,2,5-6H2,1,3-4H3/b11-9+.
What are the key properties of (3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine?
(3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine has a molecular weight of 178.28 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine is sourced from PubChem (CID 155197740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).