3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine

C16H21N — CID 43085087

IUPAC3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
SMILESCC(C)C(C)NCc1ccc2ccccc2c1
InChIInChI=1S/C16H21N/c1-12(2)13(3)17-11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,12-13,17H,11H2,1-3H3
InChIKeyGSDQFMBLDNCEAE-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.97
Rot. Bonds4

About 3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine

3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine (PubChem CID 43085087) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
PubChem CID43085087
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
SMILESCC(C)C(C)NCc1ccc2ccccc2c1
InChIInChI=1S/C16H21N/c1-12(2)13(3)17-11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,12-13,17H,11H2,1-3H3
InChIKeyGSDQFMBLDNCEAE-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 54950144
3-ethyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 63843096
(1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol
CID 101460872
1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 65047641
1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine
CID 113239115
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
(2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine
CID 93026402
N-(naphthalen-2-ylmethyl)hexan-3-amine
CID 63477604
(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
CID 102164167
methyl (2R,3S)-3-hydroxy-2-(naphthalen-2-ylmethylamino)butanoate
CID 129401896
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
N-[(4-bromo-3-methylphenyl)methyl]-3-methylbutan-2-amine
CID 66472384

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine?
The IUPAC name of 3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine (CID 43085087) is 3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine?
The canonical SMILES for 3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine is CC(C)C(C)NCc1ccc2ccccc2c1.
What is the InChIKey of 3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine?
The InChIKey is GSDQFMBLDNCEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-12(2)13(3)17-11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,12-13,17H,11H2,1-3H3.
What are the key properties of 3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine?
3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine has a molecular weight of 227.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 43085087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).