2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol

C17H35N3O — CID 107226446

IUPAC2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol
SMILESCCC(CC)(CNC1CC1)CN1CCCN(CCO)CC1
InChIInChI=1S/C17H35N3O/c1-3-17(4-2,14-18-16-6-7-16)15-20-9-5-8-19(10-11-20)12-13-21/h16,18,21H,3-15H2,1-2H3
InChIKeyJVOTYNMRYDCNLI-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.54
Rot. Bonds9

About 2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol

2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol (PubChem CID 107226446) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol
PubChem CID107226446
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol
SMILESCCC(CC)(CNC1CC1)CN1CCCN(CCO)CC1
InChIInChI=1S/C17H35N3O/c1-3-17(4-2,14-18-16-6-7-16)15-20-9-5-8-19(10-11-20)12-13-21/h16,18,21H,3-15H2,1-2H3
InChIKeyJVOTYNMRYDCNLI-UHFFFAOYSA-N
XLogP1.54
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-ethyl-2-[(4-propylpiperazin-1-yl)methyl]butyl]cyclopropanamine
CID 62261471
2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol
CID 107228852
1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol
CID 107408778
N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine
CID 62270798
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-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol
CID 103904654
N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine
CID 62262081
2-[4-(propylamino)piperidin-1-yl]ethanol
CID 60818603
2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol
CID 103914568
N'-cyclopropyl-2,2-diethylpropane-1,3-diamine
CID 115432791
N-[2-ethyl-2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]butyl]cyclopropanamine
CID 83221375

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol (CID 107226446) is 2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol is CCC(CC)(CNC1CC1)CN1CCCN(CCO)CC1.
What is the InChIKey of 2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is JVOTYNMRYDCNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-3-17(4-2,14-18-16-6-7-16)15-20-9-5-8-19(10-11-20)12-13-21/h16,18,21H,3-15H2,1-2H3.
What are the key properties of 2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol?
2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 297.49 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107226446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).