N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine

C15H19N — CID 141131054

IUPACN-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1C=CC=CC1(C)NCc1ccccc1
InChIInChI=1S/C15H19N/c1-13-8-6-7-11-15(13,2)16-12-14-9-4-3-5-10-14/h3-11,13,16H,12H2,1-2H3
InChIKeyIQGORBXUCVJOPE-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.30
Rot. Bonds3

About N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine

N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 141131054) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID141131054
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1C=CC=CC1(C)NCc1ccccc1
InChIInChI=1S/C15H19N/c1-13-8-6-7-11-15(13,2)16-12-14-9-4-3-5-10-14/h3-11,13,16H,12H2,1-2H3
InChIKeyIQGORBXUCVJOPE-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine (CID 141131054) is N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine is CC1C=CC=CC1(C)NCc1ccccc1.
What is the InChIKey of N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is IQGORBXUCVJOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-13-8-6-7-11-15(13,2)16-12-14-9-4-3-5-10-14/h3-11,13,16H,12H2,1-2H3.
What are the key properties of N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine?
N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 141131054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).