2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol

C11H25N3O — CID 107214071

IUPAC2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol
SMILESCC(C)(CN)N1CCCN(CCO)CC1
InChIInChI=1S/C11H25N3O/c1-11(2,10-12)14-5-3-4-13(6-7-14)8-9-15/h15H,3-10,12H2,1-2H3
InChIKeyKAJRSUHLXHXYBM-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.28
Rot. Bonds4

About 2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol

2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol (PubChem CID 107214071) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol
PubChem CID107214071
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol
SMILESCC(C)(CN)N1CCCN(CCO)CC1
InChIInChI=1S/C11H25N3O/c1-11(2,10-12)14-5-3-4-13(6-7-14)8-9-15/h15H,3-10,12H2,1-2H3
InChIKeyKAJRSUHLXHXYBM-UHFFFAOYSA-N
XLogP-0.28
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1-amino-2-methylpropan-2-yl)-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

2-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-amine
CID 63344155
2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
CID 9161367
2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine
CID 63343718
1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol
CID 114249464
2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol
CID 80695797
2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 107218232
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethanol
CID 43253174
2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone
CID 63343509
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride
CID 39255531
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
CID 62021526
2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride
CID 167741748

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol (CID 107214071) is 2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol is CC(C)(CN)N1CCCN(CCO)CC1.
What is the InChIKey of 2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol?
The InChIKey is KAJRSUHLXHXYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-11(2,10-12)14-5-3-4-13(6-7-14)8-9-15/h15H,3-10,12H2,1-2H3.
What are the key properties of 2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol?
2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol has a molecular weight of 215.34 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107214071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).