1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol

C18H36N2O — CID 107408681

IUPAC1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol
SMILESCCNCC1(CN2CCCC(C)(O)CC2)CCC(C)CC1
InChIInChI=1S/C18H36N2O/c1-4-19-14-18(9-6-16(2)7-10-18)15-20-12-5-8-17(3,21)11-13-20/h16,19,21H,4-15H2,1-3H3
InChIKeyHFFBGMLFZFMNRV-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.03
Rot. Bonds5

About 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol

1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol (PubChem CID 107408681) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol
PubChem CID107408681
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol
SMILESCCNCC1(CN2CCCC(C)(O)CC2)CCC(C)CC1
InChIInChI=1S/C18H36N2O/c1-4-19-14-18(9-6-16(2)7-10-18)15-20-12-5-8-17(3,21)11-13-20/h16,19,21H,4-15H2,1-3H3
InChIKeyHFFBGMLFZFMNRV-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

Analyze 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol with MolForge

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Related Compounds

4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol
CID 81107475
N-[[1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 107459367
1-[1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]piperidin-4-yl]ethanol
CID 106837777
1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol
CID 81115289
1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol
CID 114682040
1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-3-ol
CID 102967040
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol
CID 107407626
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol
CID 107407618
4-methyl-1-[[1-(sulfanylmethyl)cyclopentyl]methyl]azepan-4-ol
CID 107408990
N-[[1-[(4-ethylpiperazin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 62263344
N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 65281727
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 79184034

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol?
The IUPAC name of 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol (CID 107408681) is 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol is CCNCC1(CN2CCCC(C)(O)CC2)CCC(C)CC1.
What is the InChIKey of 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol?
The InChIKey is HFFBGMLFZFMNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-19-14-18(9-6-16(2)7-10-18)15-20-12-5-8-17(3,21)11-13-20/h16,19,21H,4-15H2,1-3H3.
What are the key properties of 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol?
1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol 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-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol is sourced from PubChem (CID 107408681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).