[1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol

C19H29NO — CID 61045098

IUPAC[1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol
SMILESCC1(C)CCC(CO)(NC2CCCCC2)c2ccccc21
InChIInChI=1S/C19H29NO/c1-18(2)12-13-19(14-21,17-11-7-6-10-16(17)18)20-15-8-4-3-5-9-15/h6-7,10-11,15,20-21H,3-5,8-9,12-14H2,1-2H3
InChIKeyIAEFHPGCETYZQO-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.87
Rot. Bonds3

About [1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol

[1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol (PubChem CID 61045098) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is [1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol.

Molecular Properties

Compound Name[1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol
PubChem CID61045098
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name[1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol
SMILESCC1(C)CCC(CO)(NC2CCCCC2)c2ccccc21
InChIInChI=1S/C19H29NO/c1-18(2)12-13-19(14-21,17-11-7-6-10-16(17)18)20-15-8-4-3-5-9-15/h6-7,10-11,15,20-21H,3-5,8-9,12-14H2,1-2H3
InChIKeyIAEFHPGCETYZQO-UHFFFAOYSA-N
XLogP3.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol
CID 61054556
1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
CID 43754606
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
[2-(cyclohexylamino)-1,3-dihydroinden-2-yl]methanol
CID 61047122
[2-(cycloheptylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
CID 61055365
[4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
CID 104524707
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585
[4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
CID 104524708
2-[1-(ethylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]acetamide
CID 65234281
1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid
CID 61001988
1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
CID 55232986
methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate
CID 60998070

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol?
The IUPAC name of [1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol (CID 61045098) is [1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol.
What is the SMILES notation for [1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol?
The canonical SMILES for [1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol is CC1(C)CCC(CO)(NC2CCCCC2)c2ccccc21.
What is the InChIKey of [1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol?
The InChIKey is IAEFHPGCETYZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-18(2)12-13-19(14-21,17-11-7-6-10-16(17)18)20-15-8-4-3-5-9-15/h6-7,10-11,15,20-21H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of [1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol?
[1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol has a molecular weight of 287.45 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol is sourced from PubChem (CID 61045098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).