2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine

C17H23N — CID 43094255

IUPAC2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine
SMILESCCC(C)CNC(C)c1cccc2ccccc12
InChIInChI=1S/C17H23N/c1-4-13(2)12-18-14(3)16-11-7-9-15-8-5-6-10-17(15)16/h5-11,13-14,18H,4,12H2,1-3H3
InChIKeyMFPVBUMTYNMGRO-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.54
Rot. Bonds5

About 2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine

2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine (PubChem CID 43094255) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine
PubChem CID43094255
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine
SMILESCCC(C)CNC(C)c1cccc2ccccc12
InChIInChI=1S/C17H23N/c1-4-13(2)12-18-14(3)16-11-7-9-15-8-5-6-10-17(15)16/h5-11,13-14,18H,4,12H2,1-3H3
InChIKeyMFPVBUMTYNMGRO-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol
CID 115677077
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine
CID 81383492
N-ethyl-3-methyl-1-naphthalen-1-ylpentan-1-amine
CID 63416227
3-methyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
CID 43101275
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
1-(4-chlorophenyl)-2-(1-naphthalen-1-ylethylamino)ethanol
CID 42942251
3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine
CID 130392686
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
N-[2-(1-naphthalen-1-ylethylamino)ethyl]methanesulfonamide
CID 43208119
N-(1-naphthalen-1-ylethyl)but-3-en-1-amine
CID 115899601
2-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]naphthalen-1-ol
CID 63981736

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine?
The IUPAC name of 2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine (CID 43094255) is 2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine is CCC(C)CNC(C)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine?
The InChIKey is MFPVBUMTYNMGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-4-13(2)12-18-14(3)16-11-7-9-15-8-5-6-10-17(15)16/h5-11,13-14,18H,4,12H2,1-3H3.
What are the key properties of 2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine?
2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine is sourced from PubChem (CID 43094255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).