5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol

C17H29NO — CID 175444228

IUPAC5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCCCCC1C=CC=C(O)C1(C)NC1CCCCC1
InChIInChI=1S/C17H29NO/c1-3-4-9-14-10-8-13-16(19)17(14,2)18-15-11-6-5-7-12-15/h8,10,13-15,18-19H,3-7,9,11-12H2,1-2H3
InChIKeyHNYXBZHCGYIPOD-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.49
Rot. Bonds5

About 5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol

5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 175444228) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID175444228
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCCCCC1C=CC=C(O)C1(C)NC1CCCCC1
InChIInChI=1S/C17H29NO/c1-3-4-9-14-10-8-13-16(19)17(14,2)18-15-11-6-5-7-12-15/h8,10,13-15,18-19H,3-7,9,11-12H2,1-2H3
InChIKeyHNYXBZHCGYIPOD-UHFFFAOYSA-N
XLogP4.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Cyclohexyl-2-methyl-1,2,3,6-tetrahydropyridin-5-ol
CID 68094531
1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 70267764
6-Cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol
CID 70841846
6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol
CID 70841931
(5S)-2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-3-(2-methylpropylamino)hexan-2-ol
CID 71276986
2-Cyclohexyl-1,2-dihydropyridin-3-ol
CID 117881825
1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol
CID 138485561
1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol
CID 143018028
2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol
CID 143126491
1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol
CID 155141440
(1R)-1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol
CID 155698705
4-Tert-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol
CID 168154275

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol (CID 175444228) is 5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol is CCCCC1C=CC=C(O)C1(C)NC1CCCCC1.
What is the InChIKey of 5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is HNYXBZHCGYIPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-4-9-14-10-8-13-16(19)17(14,2)18-15-11-6-5-7-12-15/h8,10,13-15,18-19H,3-7,9,11-12H2,1-2H3.
What are the key properties of 5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol?
5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 263.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 175444228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).