(3-methyl-1-naphthalen-1-ylbutyl)azanium chloride

C15H20ClN — CID 121438347

IUPAC(3-methyl-1-naphthalen-1-ylbutyl)azanium chloride
SMILESCC(C)CC([NH3+])c1cccc2ccccc12.[Cl-]
InChIInChI=1S/C15H19N.ClH/c1-11(2)10-15(16)14-9-5-7-12-6-3-4-8-13(12)14;/h3-9,11,15H,10,16H2,1-2H3;1H
InChIKeyRRHFHGWIRLRBQB-UHFFFAOYSA-N
MW249.79 g/mol
LogP0.17
Rot. Bonds3

About (3-methyl-1-naphthalen-1-ylbutyl)azanium chloride

(3-methyl-1-naphthalen-1-ylbutyl)azanium chloride (PubChem CID 121438347) has the molecular formula C15H20ClN and a molecular weight of 249.79 g/mol. Its IUPAC name is (3-methyl-1-naphthalen-1-ylbutyl)azanium chloride.

Molecular Properties

Compound Name(3-methyl-1-naphthalen-1-ylbutyl)azanium chloride
PubChem CID121438347
Molecular FormulaC15H20ClN
Molecular Weight249.79 g/mol
Exact Mass249.13
IUPAC Name(3-methyl-1-naphthalen-1-ylbutyl)azanium chloride
SMILESCC(C)CC([NH3+])c1cccc2ccccc12.[Cl-]
InChIInChI=1S/C15H19N.ClH/c1-11(2)10-15(16)14-9-5-7-12-6-3-4-8-13(12)14;/h3-9,11,15H,10,16H2,1-2H3;1H
InChIKeyRRHFHGWIRLRBQB-UHFFFAOYSA-N
XLogP0.17
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-chloro-4-methylpentan-2-yl)naphthalene
CID 69413488
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736
methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene
CID 144559923
N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
CID 174906138
CID 174906138
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
butane;1-propan-2-ylnaphthalene
CID 157253186
potassium [(1S)-1-naphthalen-1-ylethyl]azanide
CID 100993742
3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 55188123
1-(4-bromopentan-2-yl)naphthalene
CID 64720152

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-naphthalen-1-ylbutyl)azanium chloride?
The IUPAC name of (3-methyl-1-naphthalen-1-ylbutyl)azanium chloride (CID 121438347) is (3-methyl-1-naphthalen-1-ylbutyl)azanium chloride.
What is the SMILES notation for (3-methyl-1-naphthalen-1-ylbutyl)azanium chloride?
The canonical SMILES for (3-methyl-1-naphthalen-1-ylbutyl)azanium chloride is CC(C)CC([NH3+])c1cccc2ccccc12.[Cl-].
What is the InChIKey of (3-methyl-1-naphthalen-1-ylbutyl)azanium chloride?
The InChIKey is RRHFHGWIRLRBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N.ClH/c1-11(2)10-15(16)14-9-5-7-12-6-3-4-8-13(12)14;/h3-9,11,15H,10,16H2,1-2H3;1H.
What are the key properties of (3-methyl-1-naphthalen-1-ylbutyl)azanium chloride?
(3-methyl-1-naphthalen-1-ylbutyl)azanium chloride has a molecular weight of 249.79 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-naphthalen-1-ylbutyl)azanium chloride is sourced from PubChem (CID 121438347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).