N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine

C16H20N2 — CID 115214014

IUPACN-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine
SMILESCN(CC1CC(N)C1)c1cccc2ccccc12
InChIInChI=1S/C16H20N2/c1-18(11-12-9-14(17)10-12)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14H,9-11,17H2,1H3
InChIKeyXZXCSJIKAKRDNR-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.01
Rot. Bonds3

About N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine

N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine (PubChem CID 115214014) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine
PubChem CID115214014
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine
SMILESCN(CC1CC(N)C1)c1cccc2ccccc12
InChIInChI=1S/C16H20N2/c1-18(11-12-9-14(17)10-12)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14H,9-11,17H2,1H3
InChIKeyXZXCSJIKAKRDNR-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-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

(3S)-3-[[methyl(naphthalen-1-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141317344
N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-2-amine
CID 115214015
N-(bromomethyl)-N-methylnaphthalen-1-amine
CID 115261813
N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline
CID 115213957
N-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine
CID 115238636
N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline
CID 115213933
2-[methyl(naphthalen-1-yl)amino]ethanethiol
CID 115223888
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylaniline
CID 115213895
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline
CID 63047164
N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine
CID 115212453
N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine
CID 115213951

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine (CID 115214014) is N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine is CN(CC1CC(N)C1)c1cccc2ccccc12.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine?
The InChIKey is XZXCSJIKAKRDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-18(11-12-9-14(17)10-12)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14H,9-11,17H2,1H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine?
N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine is sourced from PubChem (CID 115214014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).