N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine

C18H24N2 — CID 63880276

IUPACN'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine
SMILESCC1CC1CN(C)CC(N)c1cccc2ccccc12
InChIInChI=1S/C18H24N2/c1-13-10-15(13)11-20(2)12-18(19)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,18H,10-12,19H2,1-2H3
InChIKeyJYMANGTVLHVJPU-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.43
Rot. Bonds5

About N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine

N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine (PubChem CID 63880276) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine
PubChem CID63880276
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine
SMILESCC1CC1CN(C)CC(N)c1cccc2ccccc12
InChIInChI=1S/C18H24N2/c1-13-10-15(13)11-20(2)12-18(19)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,18H,10-12,19H2,1-2H3
InChIKeyJYMANGTVLHVJPU-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine
CID 43271175
N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine
CID 43294791
N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892912
1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 107521321
N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine
CID 57188438
N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734629
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine
CID 55258829
2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 103958943
N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine
CID 115676380
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine
CID 63859842
2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol
CID 62861024
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291322

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine (CID 63880276) is N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine is CC1CC1CN(C)CC(N)c1cccc2ccccc12.
What is the InChIKey of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine?
The InChIKey is JYMANGTVLHVJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-10-15(13)11-20(2)12-18(19)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,18H,10-12,19H2,1-2H3.
What are the key properties of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine?
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine is sourced from PubChem (CID 63880276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).