5,5-dimethyl-3-phenylcyclohex-2-en-1-amine

C14H19N — CID 65176854

IUPAC5,5-dimethyl-3-phenylcyclohex-2-en-1-amine
SMILESCC1(C)CC(c2ccccc2)=CC(N)C1
InChIInChI=1S/C14H19N/c1-14(2)9-12(8-13(15)10-14)11-6-4-3-5-7-11/h3-8,13H,9-10,15H2,1-2H3
InChIKeyDTDPQNWSUDYKTC-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.22
Rot. Bonds1

About 5,5-dimethyl-3-phenylcyclohex-2-en-1-amine

5,5-dimethyl-3-phenylcyclohex-2-en-1-amine (PubChem CID 65176854) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 5,5-dimethyl-3-phenylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-3-phenylcyclohex-2-en-1-amine
PubChem CID65176854
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name5,5-dimethyl-3-phenylcyclohex-2-en-1-amine
SMILESCC1(C)CC(c2ccccc2)=CC(N)C1
InChIInChI=1S/C14H19N/c1-14(2)9-12(8-13(15)10-14)11-6-4-3-5-7-11/h3-8,13H,9-10,15H2,1-2H3
InChIKeyDTDPQNWSUDYKTC-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-phenylcyclohex-2-en-1-amine?
The IUPAC name of 5,5-dimethyl-3-phenylcyclohex-2-en-1-amine (CID 65176854) is 5,5-dimethyl-3-phenylcyclohex-2-en-1-amine.
What is the SMILES notation for 5,5-dimethyl-3-phenylcyclohex-2-en-1-amine?
The canonical SMILES for 5,5-dimethyl-3-phenylcyclohex-2-en-1-amine is CC1(C)CC(c2ccccc2)=CC(N)C1.
What is the InChIKey of 5,5-dimethyl-3-phenylcyclohex-2-en-1-amine?
The InChIKey is DTDPQNWSUDYKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-14(2)9-12(8-13(15)10-14)11-6-4-3-5-7-11/h3-8,13H,9-10,15H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-phenylcyclohex-2-en-1-amine?
5,5-dimethyl-3-phenylcyclohex-2-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-phenylcyclohex-2-en-1-amine is sourced from PubChem (CID 65176854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).