1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol

C17H34N2O — CID 107408778

IUPAC1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol
SMILESCCC(CC)(CNC1CC1)CN1CCCC(C)(O)CC1
InChIInChI=1S/C17H34N2O/c1-4-17(5-2,13-18-15-7-8-15)14-19-11-6-9-16(3,20)10-12-19/h15,18,20H,4-14H2,1-3H3
InChIKeyDABGAQYJACMWMD-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.78
Rot. Bonds7

About 1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol

1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol (PubChem CID 107408778) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol
PubChem CID107408778
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol
SMILESCCC(CC)(CNC1CC1)CN1CCCC(C)(O)CC1
InChIInChI=1S/C17H34N2O/c1-4-17(5-2,13-18-15-7-8-15)14-19-11-6-9-16(3,20)10-12-19/h15,18,20H,4-14H2,1-3H3
InChIKeyDABGAQYJACMWMD-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol
CID 107226446
1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol
CID 81115613
N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 65281916
N-[2-ethyl-2-[(4-propylpiperazin-1-yl)methyl]butyl]cyclopropanamine
CID 62261471
1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol
CID 107408780
2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol
CID 107228852
N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine
CID 62270798
4-methyl-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 107407980
2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol
CID 114164233
N-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine
CID 66371193
2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol
CID 62930460
1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol
CID 103358649

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol (CID 107408778) is 1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol is CCC(CC)(CNC1CC1)CN1CCCC(C)(O)CC1.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol?
The InChIKey is DABGAQYJACMWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-17(5-2,13-18-15-7-8-15)14-19-11-6-9-16(3,20)10-12-19/h15,18,20H,4-14H2,1-3H3.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol?
1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol has a molecular weight of 282.47 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol is sourced from PubChem (CID 107408778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).