N'-methyl-1-naphthalen-1-ylmethanediamine

C12H14N2 — CID 116939404

IUPACN'-methyl-1-naphthalen-1-ylmethanediamine
SMILESCNC(N)c1cccc2ccccc12
InChIInChI=1S/C12H14N2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12,14H,13H2,1H3
InChIKeyMDSLHHKYNKLLGO-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.02
Rot. Bonds2

About N'-methyl-1-naphthalen-1-ylmethanediamine

N'-methyl-1-naphthalen-1-ylmethanediamine (PubChem CID 116939404) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is N'-methyl-1-naphthalen-1-ylmethanediamine.

Molecular Properties

Compound NameN'-methyl-1-naphthalen-1-ylmethanediamine
PubChem CID116939404
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC NameN'-methyl-1-naphthalen-1-ylmethanediamine
SMILESCNC(N)c1cccc2ccccc12
InChIInChI=1S/C12H14N2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12,14H,13H2,1H3
InChIKeyMDSLHHKYNKLLGO-UHFFFAOYSA-N
XLogP2.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine
CID 116948174
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
4-[methylamino(naphthalen-1-yl)methyl]aniline
CID 116952076
3-naphthalen-1-ylbutane-1,2-diamine
CID 142736205
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
N-methyl-1-(2-methylphenyl)-1-naphthalen-1-ylmethanamine
CID 62717419
2-(methylamino)-2-naphthalen-1-ylacetamide
CID 60797146
N'-methyl-1-(2-methylphenyl)methanediamine
CID 116939379
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
CID 171161126
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-naphthalen-1-ylmethanediamine?
The IUPAC name of N'-methyl-1-naphthalen-1-ylmethanediamine (CID 116939404) is N'-methyl-1-naphthalen-1-ylmethanediamine.
What is the SMILES notation for N'-methyl-1-naphthalen-1-ylmethanediamine?
The canonical SMILES for N'-methyl-1-naphthalen-1-ylmethanediamine is CNC(N)c1cccc2ccccc12.
What is the InChIKey of N'-methyl-1-naphthalen-1-ylmethanediamine?
The InChIKey is MDSLHHKYNKLLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12,14H,13H2,1H3.
What are the key properties of N'-methyl-1-naphthalen-1-ylmethanediamine?
N'-methyl-1-naphthalen-1-ylmethanediamine has a molecular weight of 186.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-naphthalen-1-ylmethanediamine is sourced from PubChem (CID 116939404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).