[1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine

C18H36N2O — CID 106872557

IUPAC[1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine
SMILESCOC1CCCCC1(CN)N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H36N2O/c1-17(2,3)15-8-7-12-20(13-10-15)18(14-19)11-6-5-9-16(18)21-4/h15-16H,5-14,19H2,1-4H3
InChIKeyZJDVZKAWQFFDCL-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.42
Rot. Bonds3

About [1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine

[1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine (PubChem CID 106872557) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is [1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine
PubChem CID106872557
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name[1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine
SMILESCOC1CCCCC1(CN)N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H36N2O/c1-17(2,3)15-8-7-12-20(13-10-15)18(14-19)11-6-5-9-16(18)21-4/h15-16H,5-14,19H2,1-4H3
InChIKeyZJDVZKAWQFFDCL-UHFFFAOYSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine with MolForge

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Related Compounds

[1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine
CID 106872730
1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 106872340
[3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine
CID 82718302
[2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 106872497
[2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)cyclohexyl]methanamine
CID 106872792
[1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 43372747
[3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine
CID 82719050
[1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663109
[2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]cyclohexyl]methanamine
CID 106586356
[4-tert-butyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43079349
[4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
CID 43584372
[1-(4-ethoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 61218986

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine?
The IUPAC name of [1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine (CID 106872557) is [1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine.
What is the SMILES notation for [1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine?
The canonical SMILES for [1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine is COC1CCCCC1(CN)N1CCCC(C(C)(C)C)CC1.
What is the InChIKey of [1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine?
The InChIKey is ZJDVZKAWQFFDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-17(2,3)15-8-7-12-20(13-10-15)18(14-19)11-6-5-9-16(18)21-4/h15-16H,5-14,19H2,1-4H3.
What are the key properties of [1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine?
[1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine has a molecular weight of 296.50 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine is sourced from PubChem (CID 106872557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).