3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine

C17H21N — CID 80705364

IUPAC3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine
SMILESCC1(C)CCC(N)(c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H21N/c1-16(2)9-10-17(18,12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyLUOFEBSHKJCSLJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.20
Rot. Bonds1

About 3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine

3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine (PubChem CID 80705364) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine
PubChem CID80705364
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine
SMILESCC1(C)CCC(N)(c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H21N/c1-16(2)9-10-17(18,12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyLUOFEBSHKJCSLJ-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine (CID 80705364) is 3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine is CC1(C)CCC(N)(c2ccc3ccccc3c2)C1.
What is the InChIKey of 3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine?
The InChIKey is LUOFEBSHKJCSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-16(2)9-10-17(18,12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11H,9-10,12,18H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine?
3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine is sourced from PubChem (CID 80705364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).