1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine

C18H23NO — CID 116521405

IUPAC1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
SMILESCC1(C)CCC(CNCc2cccc3ccccc23)O1
InChIInChI=1S/C18H23NO/c1-18(2)11-10-16(20-18)13-19-12-15-8-5-7-14-6-3-4-9-17(14)15/h3-9,16,19H,10-13H2,1-2H3
InChIKeyHISIWCNZLRIVSS-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.89
Rot. Bonds4

About 1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine

1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine (PubChem CID 116521405) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
PubChem CID116521405
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
SMILESCC1(C)CCC(CNCc2cccc3ccccc23)O1
InChIInChI=1S/C18H23NO/c1-18(2)11-10-16(20-18)13-19-12-15-8-5-7-14-6-3-4-9-17(14)15/h3-9,16,19H,10-13H2,1-2H3
InChIKeyHISIWCNZLRIVSS-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,5-dimethyloxolan-2-yl)-N-[(2-nitrophenyl)methyl]methanamine
CID 116521381
1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 138714590
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine
CID 116521126
1-cyclobutyl-N-(naphthalen-1-ylmethyl)methanamine
CID 43298553
2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
CID 116524402
1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 126788095
N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896894
N-[(1-methylcyclopentyl)methyl]-1-naphthalen-1-ylmethanamine
CID 63822202
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,5-dimethyloxolan-2-yl)methanamine
CID 106372885
1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 116521375
N-(naphthalen-1-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106633869
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 116520893

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine?
The IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine (CID 116521405) is 1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine.
What is the SMILES notation for 1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine?
The canonical SMILES for 1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine is CC1(C)CCC(CNCc2cccc3ccccc23)O1.
What is the InChIKey of 1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine?
The InChIKey is HISIWCNZLRIVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-18(2)11-10-16(20-18)13-19-12-15-8-5-7-14-6-3-4-9-17(14)15/h3-9,16,19H,10-13H2,1-2H3.
What are the key properties of 1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine?
1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine is sourced from PubChem (CID 116521405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).