1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine

C14H18N2 — CID 116948174

IUPAC1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine
SMILESCNC(c1cccc2ccccc12)C(C)N
InChIInChI=1S/C14H18N2/c1-10(15)14(16-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14,16H,15H2,1-2H3
InChIKeySXGCBXXGUPQYIA-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.45
Rot. Bonds3

About 1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine

1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine (PubChem CID 116948174) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine
PubChem CID116948174
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine
SMILESCNC(c1cccc2ccccc12)C(C)N
InChIInChI=1S/C14H18N2/c1-10(15)14(16-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14,16H,15H2,1-2H3
InChIKeySXGCBXXGUPQYIA-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine
CID 116960307
N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736
3-naphthalen-1-ylbutane-1,2-diamine
CID 142736205
2,2,2-trichloro-1-naphthalen-1-ylethanamine
CID 101218530
N-methyl-1-(2-methylphenyl)-1-naphthalen-1-ylmethanamine
CID 62717419
2-(methylamino)-2-naphthalen-1-ylacetamide
CID 60797146
4-[methylamino(naphthalen-1-yl)methyl]aniline
CID 116952076
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine (CID 116948174) is 1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine is CNC(c1cccc2ccccc12)C(C)N.
What is the InChIKey of 1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine?
The InChIKey is SXGCBXXGUPQYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10(15)14(16-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14,16H,15H2,1-2H3.
What are the key properties of 1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine?
1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine has a molecular weight of 214.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine is sourced from PubChem (CID 116948174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).