(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride

C17H24ClN — CID 171208944

IUPAC(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccc(C)c2ccccc12.Cl
InChIInChI=1S/C17H23N.ClH/c1-3-4-5-10-17(18)16-12-11-13(2)14-8-6-7-9-15(14)16;/h6-9,11-12,17H,3-5,10,18H2,1-2H3;1H/t17-;/m1./s1
InChIKeyIDYWDWWPGQOOQD-UNTBIKODSA-N
MW277.84 g/mol
LogP5.15
Rot. Bonds5

About (1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride

(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride (PubChem CID 171208944) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is (1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
PubChem CID171208944
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC Name(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccc(C)c2ccccc12.Cl
InChIInChI=1S/C17H23N.ClH/c1-3-4-5-10-17(18)16-12-11-13(2)14-8-6-7-9-15(14)16;/h6-9,11-12,17H,3-5,10,18H2,1-2H3;1H/t17-;/m1./s1
InChIKeyIDYWDWWPGQOOQD-UNTBIKODSA-N
XLogP5.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.84
LogP ≤ 55.15
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

(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
CID 171228529
(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
CID 171228525
(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine
CID 171208933
(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171228539
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773
(1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171213235
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
1-(4-methylnaphthalen-1-yl)heptan-1-ol
CID 114753428
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-(2-methylphenyl)nonan-1-amine
CID 63412316
(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride (CID 171208944) is (1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride is CCCCC[C@@H](N)c1ccc(C)c2ccccc12.Cl.
What is the InChIKey of (1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride?
The InChIKey is IDYWDWWPGQOOQD-UNTBIKODSA-N. The full InChI is InChI=1S/C17H23N.ClH/c1-3-4-5-10-17(18)16-12-11-13(2)14-8-6-7-9-15(14)16;/h6-9,11-12,17H,3-5,10,18H2,1-2H3;1H/t17-;/m1./s1.
What are the key properties of (1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride?
(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 171208944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).