N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine

C18H24N2O — CID 82732716

IUPACN-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine
SMILESCC1OCCC1N(C)C(CN)c1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O/c1-13-17(9-10-21-13)20(2)18(12-19)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17-18H,9-10,12,19H2,1-2H3
InChIKeyUMSXDRCOBHESCR-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.95
Rot. Bonds4

About N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine

N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine (PubChem CID 82732716) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine
PubChem CID82732716
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine
SMILESCC1OCCC1N(C)C(CN)c1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O/c1-13-17(9-10-21-13)20(2)18(12-19)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17-18H,9-10,12,19H2,1-2H3
InChIKeyUMSXDRCOBHESCR-UHFFFAOYSA-N
XLogP2.95
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 82734785
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82733160
N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 82732511
1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 114937259
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 114843364
N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine
CID 82733792
1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82733107
N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851069
(3-methyloxolan-2-yl)-naphthalen-2-ylmethanamine
CID 115851127
N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 82734575
1-(3-fluorophenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82732670
2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol
CID 82982688

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine (CID 82732716) is N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine is CC1OCCC1N(C)C(CN)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine?
The InChIKey is UMSXDRCOBHESCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-17(9-10-21-13)20(2)18(12-19)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17-18H,9-10,12,19H2,1-2H3.
What are the key properties of N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine?
N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine is sourced from PubChem (CID 82732716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).