2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine

C16H21N — CID 139609928

IUPAC2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine
SMILESCCC(C)C(N)c1cccc2c(C)cccc12
InChIInChI=1S/C16H21N/c1-4-11(2)16(17)15-10-6-8-13-12(3)7-5-9-14(13)15/h5-11,16H,4,17H2,1-3H3
InChIKeyAOVJIBKVYNAMGA-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.19
Rot. Bonds3

About 2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine

2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine (PubChem CID 139609928) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine
PubChem CID139609928
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine
SMILESCCC(C)C(N)c1cccc2c(C)cccc12
InChIInChI=1S/C16H21N/c1-4-11(2)16(17)15-10-6-8-13-12(3)7-5-9-14(13)15/h5-11,16H,4,17H2,1-3H3
InChIKeyAOVJIBKVYNAMGA-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
CID 130806142
2-methyl-1-(5-methylnaphthalen-1-yl)propan-1-amine
CID 130152612
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055
1-(2-bromo-3-methylphenyl)-2-methylbutan-1-amine
CID 107985251
4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol
CID 171208917
(1S)-1-(2,3-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171218798
(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201759
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
(1S)-1-[3-fluoro-2-(trifluoromethyl)phenyl]-2-methylbutan-1-amine
CID 171231048
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
2-methyl-1-(2-methylphenyl)pentan-1-amine
CID 115794811

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine (CID 139609928) is 2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine is CCC(C)C(N)c1cccc2c(C)cccc12.
What is the InChIKey of 2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine?
The InChIKey is AOVJIBKVYNAMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-4-11(2)16(17)15-10-6-8-13-12(3)7-5-9-14(13)15/h5-11,16H,4,17H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine?
2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine is sourced from PubChem (CID 139609928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).