(1R)-1-naphthalen-1-ylhexan-1-amine

C16H21N — CID 171212033

IUPAC(1R)-1-naphthalen-1-ylhexan-1-amine
SMILESCCCCC[C@@H](N)c1cccc2ccccc12
InChIInChI=1S/C16H21N/c1-2-3-4-12-16(17)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16H,2-4,12,17H2,1H3/t16-/m1/s1
InChIKeyOHIXNZITTLAUGC-MRXNPFEDSA-N
MW227.35 g/mol
LogP4.42
Rot. Bonds5

About (1R)-1-naphthalen-1-ylhexan-1-amine

(1R)-1-naphthalen-1-ylhexan-1-amine (PubChem CID 171212033) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (1R)-1-naphthalen-1-ylhexan-1-amine.

Molecular Properties

Compound Name(1R)-1-naphthalen-1-ylhexan-1-amine
PubChem CID171212033
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(1R)-1-naphthalen-1-ylhexan-1-amine
SMILESCCCCC[C@@H](N)c1cccc2ccccc12
InChIInChI=1S/C16H21N/c1-2-3-4-12-16(17)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16H,2-4,12,17H2,1H3/t16-/m1/s1
InChIKeyOHIXNZITTLAUGC-MRXNPFEDSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-isoquinolin-4-ylnonan-1-amine
CID 115856304
1-decan-5-ylnaphthalene
CID 14029915
1-tetracosan-9-ylnaphthalene
CID 175897855
1-hexadecan-6-ylnaphthalene
CID 14029925
(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
CID 171228529
1-quinolin-8-ylhexan-1-amine
CID 105021327
2-heptoxy-1-naphthalen-1-ylethanamine
CID 43127496
(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944
N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine
CID 43294791
1-octacosan-4-ylnaphthalene
CID 54149804
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624
4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine
CID 63192592

Frequently Asked Questions

What is the IUPAC name of (1R)-1-naphthalen-1-ylhexan-1-amine?
The IUPAC name of (1R)-1-naphthalen-1-ylhexan-1-amine (CID 171212033) is (1R)-1-naphthalen-1-ylhexan-1-amine.
What is the SMILES notation for (1R)-1-naphthalen-1-ylhexan-1-amine?
The canonical SMILES for (1R)-1-naphthalen-1-ylhexan-1-amine is CCCCC[C@@H](N)c1cccc2ccccc12.
What is the InChIKey of (1R)-1-naphthalen-1-ylhexan-1-amine?
The InChIKey is OHIXNZITTLAUGC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N/c1-2-3-4-12-16(17)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16H,2-4,12,17H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-naphthalen-1-ylhexan-1-amine?
(1R)-1-naphthalen-1-ylhexan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-naphthalen-1-ylhexan-1-amine is sourced from PubChem (CID 171212033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).