[1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol

C18H36N2O — CID 116638115

IUPAC[1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol
SMILESCCNC1CCC(C)(C)CC1CN1CCCCCC1CO
InChIInChI=1S/C18H36N2O/c1-4-19-17-9-10-18(2,3)12-15(17)13-20-11-7-5-6-8-16(20)14-21/h15-17,19,21H,4-14H2,1-3H3
InChIKeyRJJZTTSRZAREKX-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.03
Rot. Bonds5

About [1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol

[1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol (PubChem CID 116638115) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is [1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol
PubChem CID116638115
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name[1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol
SMILESCCNC1CCC(C)(C)CC1CN1CCCCCC1CO
InChIInChI=1S/C18H36N2O/c1-4-19-17-9-10-18(2,3)12-15(17)13-20-11-7-5-6-8-16(20)14-21/h15-17,19,21H,4-14H2,1-3H3
InChIKeyRJJZTTSRZAREKX-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol
CID 116638196
2-[[2-(hydroxymethyl)azepan-1-yl]methyl]-4,4-dimethylcyclohexan-1-ol
CID 116638238
[1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol
CID 55094284
N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine
CID 104692037
[1-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl]piperidin-2-yl]methanol
CID 79913376
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62931664
(1-ethylazepan-2-yl)methanol
CID 2849413
2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol
CID 116638244
N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 103538949
5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 104692099
N-ethyl-3-[(2-ethylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058730
[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol
CID 116637146

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol?
The IUPAC name of [1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol (CID 116638115) is [1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol is CCNC1CCC(C)(C)CC1CN1CCCCCC1CO.
What is the InChIKey of [1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol?
The InChIKey is RJJZTTSRZAREKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-19-17-9-10-18(2,3)12-15(17)13-20-11-7-5-6-8-16(20)14-21/h15-17,19,21H,4-14H2,1-3H3.
What are the key properties of [1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol?
[1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol has a molecular weight of 296.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol is sourced from PubChem (CID 116638115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).