N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine

C17H22N2O — CID 82734629

IUPACN'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(CC(N)c1cccc2ccccc12)C1CCOC1
InChIInChI=1S/C17H22N2O/c1-19(14-9-10-20-12-14)11-17(18)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,17H,9-12,18H2,1H3
InChIKeyBXHVEYNECVADAZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.56
Rot. Bonds4

About N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine

N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82734629) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82734629
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(CC(N)c1cccc2ccccc12)C1CCOC1
InChIInChI=1S/C17H22N2O/c1-19(14-9-10-20-12-14)11-17(18)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,17H,9-12,18H2,1H3
InChIKeyBXHVEYNECVADAZ-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine
CID 43611052
N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735457
1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735465
1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734412
1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743611
1-(2-ethoxyphenyl)-2-[methyl(oxolan-3-yl)amino]ethanol
CID 82748181
N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892912
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine
CID 63880276
N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine
CID 43271175
(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride
CID 171243613
1-(2-amino-2-naphthalen-1-ylethyl)-N,N-dimethylpyrrolidin-3-amine
CID 63163943
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine (CID 82734629) is N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine is CN(CC(N)c1cccc2ccccc12)C1CCOC1.
What is the InChIKey of N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is BXHVEYNECVADAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(14-9-10-20-12-14)11-17(18)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,17H,9-12,18H2,1H3.
What are the key properties of N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine?
N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82734629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).