2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline

C15H19N — CID 163487751

IUPAC2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1CC1C=CC=CC1
InChIInChI=1S/C15H19N/c1-16(2)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-8,10-11,13H,9,12H2,1-2H3
InChIKeyCJZBZACLRULSMY-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.43
Rot. Bonds3

About 2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline

2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline (PubChem CID 163487751) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline
PubChem CID163487751
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1CC1C=CC=CC1
InChIInChI=1S/C15H19N/c1-16(2)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-8,10-11,13H,9,12H2,1-2H3
InChIKeyCJZBZACLRULSMY-UHFFFAOYSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline?
The IUPAC name of 2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline (CID 163487751) is 2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline?
The canonical SMILES for 2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline is CN(C)c1ccccc1CC1C=CC=CC1.
What is the InChIKey of 2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline?
The InChIKey is CJZBZACLRULSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-16(2)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-8,10-11,13H,9,12H2,1-2H3.
What are the key properties of 2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline?
2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline has a molecular weight of 213.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-2,4-dien-1-ylmethyl)-N,N-dimethylaniline is sourced from PubChem (CID 163487751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).