N-methyl-1-naphthalen-1-ylmethanamine

C36H39N3 — CID 69403999

IUPACN-methyl-1-naphthalen-1-ylmethanamine
SMILESCNCc1cccc2ccccc12.CNCc1cccc2ccccc12.CNCc1cccc2ccccc12
InChIInChI=1S/3C12H13N/c3*1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h3*2-8,13H,9H2,1H3
InChIKeyTXMXCTXRCNPTTE-UHFFFAOYSA-N
MW513.73 g/mol
LogP7.68
Rot. Bonds6

About N-methyl-1-naphthalen-1-ylmethanamine

N-methyl-1-naphthalen-1-ylmethanamine (PubChem CID 69403999) has the molecular formula C36H39N3 and a molecular weight of 513.73 g/mol. Its IUPAC name is N-methyl-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-naphthalen-1-ylmethanamine
PubChem CID69403999
Molecular FormulaC36H39N3
Molecular Weight513.73 g/mol
Exact Mass513.31
IUPAC NameN-methyl-1-naphthalen-1-ylmethanamine
SMILESCNCc1cccc2ccccc12.CNCc1cccc2ccccc12.CNCc1cccc2ccccc12
InChIInChI=1S/3C12H13N/c3*1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h3*2-8,13H,9H2,1H3
InChIKeyTXMXCTXRCNPTTE-UHFFFAOYSA-N
XLogP7.68
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.73
LogP ≤ 57.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
naphthalen-1-ylmethylhydrazine;hydrochloride
CID 71656108
CID 66760372
CID 66760372
1-N-methyl-1-N'-(naphthalen-1-ylmethyl)ethene-1,1-diamine
CID 142138945
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
N-(2-methoxyethoxy)-1-naphthalen-1-ylmethanamine
CID 82710702
N-methyl-1-[2-methyl-3-(naphthalen-1-ylmethyl)imidazol-4-yl]methanamine
CID 65172711
2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine
CID 3028482

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-1-ylmethanamine?
The IUPAC name of N-methyl-1-naphthalen-1-ylmethanamine (CID 69403999) is N-methyl-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for N-methyl-1-naphthalen-1-ylmethanamine?
The canonical SMILES for N-methyl-1-naphthalen-1-ylmethanamine is CNCc1cccc2ccccc12.CNCc1cccc2ccccc12.CNCc1cccc2ccccc12.
What is the InChIKey of N-methyl-1-naphthalen-1-ylmethanamine?
The InChIKey is TXMXCTXRCNPTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H13N/c3*1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h3*2-8,13H,9H2,1H3.
What are the key properties of N-methyl-1-naphthalen-1-ylmethanamine?
N-methyl-1-naphthalen-1-ylmethanamine has a molecular weight of 513.73 g/mol, XLogP of 7.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-naphthalen-1-ylmethanamine is sourced from PubChem (CID 69403999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).