6-benzyl-5-methylcyclohexa-1,3-dien-1-amine

C14H17N — CID 170122848

IUPAC6-benzyl-5-methylcyclohexa-1,3-dien-1-amine
SMILESCC1C=CC=C(N)C1Cc1ccccc1
InChIInChI=1S/C14H17N/c1-11-6-5-9-14(15)13(11)10-12-7-3-2-4-8-12/h2-9,11,13H,10,15H2,1H3
InChIKeyDEMQHTIUXSJABQ-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.89
Rot. Bonds2

About 6-benzyl-5-methylcyclohexa-1,3-dien-1-amine

6-benzyl-5-methylcyclohexa-1,3-dien-1-amine (PubChem CID 170122848) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 6-benzyl-5-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-benzyl-5-methylcyclohexa-1,3-dien-1-amine
PubChem CID170122848
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name6-benzyl-5-methylcyclohexa-1,3-dien-1-amine
SMILESCC1C=CC=C(N)C1Cc1ccccc1
InChIInChI=1S/C14H17N/c1-11-6-5-9-14(15)13(11)10-12-7-3-2-4-8-12/h2-9,11,13H,10,15H2,1H3
InChIKeyDEMQHTIUXSJABQ-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-benzyl-5-methylcyclohexa-1,3-dien-1-amine (CID 170122848) is 6-benzyl-5-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-benzyl-5-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-benzyl-5-methylcyclohexa-1,3-dien-1-amine is CC1C=CC=C(N)C1Cc1ccccc1.
What is the InChIKey of 6-benzyl-5-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is DEMQHTIUXSJABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-11-6-5-9-14(15)13(11)10-12-7-3-2-4-8-12/h2-9,11,13H,10,15H2,1H3.
What are the key properties of 6-benzyl-5-methylcyclohexa-1,3-dien-1-amine?
6-benzyl-5-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 199.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 170122848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).