(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine

C17H23N — CID 171228529

IUPAC(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
SMILESCCCCC[C@H](N)c1ccc(C)c2ccccc12
InChIInChI=1S/C17H23N/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/t17-/m0/s1
InChIKeyQGGXJGDPNNHMSA-KRWDZBQOSA-N
MW241.38 g/mol
LogP4.73
Rot. Bonds5

About (1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine

(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine (PubChem CID 171228529) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is (1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
PubChem CID171228529
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
SMILESCCCCC[C@H](N)c1ccc(C)c2ccccc12
InChIInChI=1S/C17H23N/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/t17-/m0/s1
InChIKeyQGGXJGDPNNHMSA-KRWDZBQOSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.73
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

(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944
(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
CID 171228525
(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine
CID 171208933
(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
(1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171213235
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773
(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171228539
1-(2-methylphenyl)nonan-1-amine
CID 63412316
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624
(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine?
The IUPAC name of (1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine (CID 171228529) is (1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine.
What is the SMILES notation for (1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine?
The canonical SMILES for (1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine is CCCCC[C@H](N)c1ccc(C)c2ccccc12.
What is the InChIKey of (1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine?
The InChIKey is QGGXJGDPNNHMSA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N/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/t17-/m0/s1.
What are the key properties of (1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine?
(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine is sourced from PubChem (CID 171228529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).