[1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol

C16H32N2O — CID 116638196

IUPAC[1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol
SMILESCCNC1CCCCC1CN1CCCCCC1CO
InChIInChI=1S/C16H32N2O/c1-2-17-16-10-6-5-8-14(16)12-18-11-7-3-4-9-15(18)13-19/h14-17,19H,2-13H2,1H3
InChIKeyMGZWFRAHNAGHPA-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds5

About [1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol

[1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol (PubChem CID 116638196) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol
PubChem CID116638196
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol
SMILESCCNC1CCCCC1CN1CCCCCC1CO
InChIInChI=1S/C16H32N2O/c1-2-17-16-10-6-5-8-14(16)12-18-11-7-3-4-9-15(18)13-19/h14-17,19H,2-13H2,1H3
InChIKeyMGZWFRAHNAGHPA-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine
CID 104692037
[1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol
CID 55094284
[1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol
CID 116638115
2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol
CID 116638244
2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol
CID 62614980
2-[1-[[2-(methylamino)cyclopentyl]methyl]piperidin-2-yl]ethanol
CID 62615546
(1-ethylazepan-2-yl)methanol
CID 2849413
2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 55094714
N-ethyl-3-[(2-ethylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058730
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62931664
[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol
CID 116637146
1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol
CID 62941371

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol?
The IUPAC name of [1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol (CID 116638196) is [1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol is CCNC1CCCCC1CN1CCCCCC1CO.
What is the InChIKey of [1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol?
The InChIKey is MGZWFRAHNAGHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-17-16-10-6-5-8-14(16)12-18-11-7-3-4-9-15(18)13-19/h14-17,19H,2-13H2,1H3.
What are the key properties of [1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol?
[1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol is sourced from PubChem (CID 116638196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).