(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine

C19H27N — CID 7322198

IUPAC(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine
SMILESCCCCCC[C@@H](C)NCc1cccc2ccccc12
InChIInChI=1S/C19H27N/c1-3-4-5-6-10-16(2)20-15-18-13-9-12-17-11-7-8-14-19(17)18/h7-9,11-14,16,20H,3-6,10,15H2,1-2H3/t16-/m1/s1
InChIKeyGWWSXDUHNWOZPU-MRXNPFEDSA-N
MW269.43 g/mol
LogP5.29
Rot. Bonds8

About (2R)-N-(naphthalen-1-ylmethyl)octan-2-amine

(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine (PubChem CID 7322198) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is (2R)-N-(naphthalen-1-ylmethyl)octan-2-amine.

Molecular Properties

Compound Name(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine
PubChem CID7322198
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine
SMILESCCCCCC[C@@H](C)NCc1cccc2ccccc12
InChIInChI=1S/C19H27N/c1-3-4-5-6-10-16(2)20-15-18-13-9-12-17-11-7-8-14-19(17)18/h7-9,11-14,16,20H,3-6,10,15H2,1-2H3/t16-/m1/s1
InChIKeyGWWSXDUHNWOZPU-MRXNPFEDSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-(naphthalen-1-ylmethyl)octan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Terbinafine
CID 1549008
Cinacalcet
CID 156419
Butenafine
CID 2484
Naftifine
CID 47641
Cinacalcet Hydrochloride
CID 156418
Fendiline
CID 3336
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
Terbinafine Hydrochloride
CID 5282481
Prenylamine
CID 9801
N-ethyl-1-phenylcyclohexanamine
CID 16622
Fendiline Hydrochloride
CID 5702162
Naftifine Hydrochloride
CID 5281098

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(naphthalen-1-ylmethyl)octan-2-amine?
The IUPAC name of (2R)-N-(naphthalen-1-ylmethyl)octan-2-amine (CID 7322198) is (2R)-N-(naphthalen-1-ylmethyl)octan-2-amine.
What is the SMILES notation for (2R)-N-(naphthalen-1-ylmethyl)octan-2-amine?
The canonical SMILES for (2R)-N-(naphthalen-1-ylmethyl)octan-2-amine is CCCCCC[C@@H](C)NCc1cccc2ccccc12.
What is the InChIKey of (2R)-N-(naphthalen-1-ylmethyl)octan-2-amine?
The InChIKey is GWWSXDUHNWOZPU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N/c1-3-4-5-6-10-16(2)20-15-18-13-9-12-17-11-7-8-14-19(17)18/h7-9,11-14,16,20H,3-6,10,15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-N-(naphthalen-1-ylmethyl)octan-2-amine?
(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(naphthalen-1-ylmethyl)octan-2-amine is sourced from PubChem (CID 7322198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).