3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine

C23H31NO2 — CID 54848963

IUPAC3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCc2c(OCC3CCCO3)ccc3ccccc23)C1
InChIInChI=1S/C23H31NO2/c1-17-6-4-8-19(14-17)24-15-22-21-10-3-2-7-18(21)11-12-23(22)26-16-20-9-5-13-25-20/h2-3,7,10-12,17,19-20,24H,4-6,8-9,13-16H2,1H3
InChIKeyMURAZQWQYIWOPE-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.07
Rot. Bonds6

About 3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine

3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine (PubChem CID 54848963) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
PubChem CID54848963
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCc2c(OCC3CCCO3)ccc3ccccc23)C1
InChIInChI=1S/C23H31NO2/c1-17-6-4-8-19(14-17)24-15-22-21-10-3-2-7-18(21)11-12-23(22)26-16-20-9-5-13-25-20/h2-3,7,10-12,17,19-20,24H,4-6,8-9,13-16H2,1H3
InChIKeyMURAZQWQYIWOPE-UHFFFAOYSA-N
XLogP5.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine
CID 54847849
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54804932
3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
CID 54848926
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 54849922
2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol
CID 54849479
1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
CID 44531472
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 54847821
2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine
CID 60905678
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2969882
1-[(2R)-oxolan-2-yl]-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2111519
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]propanoic acid
CID 54848186

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine (CID 54848963) is 3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine is CC1CCCC(NCc2c(OCC3CCCO3)ccc3ccccc23)C1.
What is the InChIKey of 3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is MURAZQWQYIWOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-17-6-4-8-19(14-17)24-15-22-21-10-3-2-7-18(21)11-12-23(22)26-16-20-9-5-13-25-20/h2-3,7,10-12,17,19-20,24H,4-6,8-9,13-16H2,1H3.
What are the key properties of 3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine?
3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 353.51 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 54848963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).