1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine

C19H23NO — CID 114939286

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1ccc2c3c(cccc13)CC2)C1CCCCO1
InChIInChI=1S/C19H23NO/c1-20-19(17-7-2-3-12-21-17)16-11-10-14-9-8-13-5-4-6-15(16)18(13)14/h4-6,10-11,17,19-20H,2-3,7-9,12H2,1H3
InChIKeyVOFSTLAFVFCQRC-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.77
Rot. Bonds3

About 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine

1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 114939286) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID114939286
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1ccc2c3c(cccc13)CC2)C1CCCCO1
InChIInChI=1S/C19H23NO/c1-20-19(17-7-2-3-12-21-17)16-11-10-14-9-8-13-5-4-6-15(16)18(13)14/h4-6,10-11,17,19-20H,2-3,7-9,12H2,1H3
InChIKeyVOFSTLAFVFCQRC-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114939283
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 114939266
2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine
CID 114939304
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 63509253
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114939321
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine
CID 114939280
1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine
CID 114939165
5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene
CID 114939601
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine
CID 105050817
(1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine
CID 155718502
1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol
CID 114939514

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine (CID 114939286) is 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine is CNC(c1ccc2c3c(cccc13)CC2)C1CCCCO1.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is VOFSTLAFVFCQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-20-19(17-7-2-3-12-21-17)16-11-10-14-9-8-13-5-4-6-15(16)18(13)14/h4-6,10-11,17,19-20H,2-3,7-9,12H2,1H3.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine?
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 281.40 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 114939286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).