N,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine

C11H18N2 — CID 155402781

IUPACN,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine
SMILESC=NC1C=CC(C)CC=C1N(C)C
InChIInChI=1S/C11H18N2/c1-9-5-7-10(12-2)11(8-6-9)13(3)4/h5,7-10H,2,6H2,1,3-4H3
InChIKeyBCMCGPRLQKZCEN-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.10
Rot. Bonds2

About N,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine

N,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine (PubChem CID 155402781) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine
PubChem CID155402781
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine
SMILESC=NC1C=CC(C)CC=C1N(C)C
InChIInChI=1S/C11H18N2/c1-9-5-7-10(12-2)11(8-6-9)13(3)4/h5,7-10H,2,6H2,1,3-4H3
InChIKeyBCMCGPRLQKZCEN-UHFFFAOYSA-N
XLogP2.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine?
The IUPAC name of N,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine (CID 155402781) is N,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine.
What is the SMILES notation for N,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine?
The canonical SMILES for N,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine is C=NC1C=CC(C)CC=C1N(C)C.
What is the InChIKey of N,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine?
The InChIKey is BCMCGPRLQKZCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-5-7-10(12-2)11(8-6-9)13(3)4/h5,7-10H,2,6H2,1,3-4H3.
What are the key properties of N,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine?
N,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine is sourced from PubChem (CID 155402781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).