3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide

C9H19N3O2 — CID 126980030

IUPAC3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide
SMILESCC(CN1CCNCC(O)C1)C(N)=O
InChIInChI=1S/C9H19N3O2/c1-7(9(10)14)5-12-3-2-11-4-8(13)6-12/h7-8,11,13H,2-6H2,1H3,(H2,10,14)
InChIKeyKCEUNPONPQABPE-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.63
Rot. Bonds3

About 3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide

3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide (PubChem CID 126980030) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide
PubChem CID126980030
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide
SMILESCC(CN1CCNCC(O)C1)C(N)=O
InChIInChI=1S/C9H19N3O2/c1-7(9(10)14)5-12-3-2-11-4-8(13)6-12/h7-8,11,13H,2-6H2,1H3,(H2,10,14)
InChIKeyKCEUNPONPQABPE-UHFFFAOYSA-N
XLogP-1.63
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylidenebutyl)-1,4-diazepan-6-ol
CID 130542357
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
CID 142196227
3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide
CID 61336630
1-cyclopentyl-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924032
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
1-(6-hydroxy-1,4-diazepan-1-yl)-2-methoxypropan-1-one
CID 130542321
2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propanoic acid
CID 104977275
1-but-3-enyl-1,4-diazepan-6-ol
CID 130542380
benzyl 2-methyl-3-[(3R)-3-methylpiperazin-1-yl]propanoate
CID 106484459
benzyl 2-methyl-3-(3-methylpiperazin-1-yl)propanoate
CID 106484436
2-methyl-3-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63265226
3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanamide
CID 81116171

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide?
The IUPAC name of 3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide (CID 126980030) is 3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide is CC(CN1CCNCC(O)C1)C(N)=O.
What is the InChIKey of 3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide?
The InChIKey is KCEUNPONPQABPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(9(10)14)5-12-3-2-11-4-8(13)6-12/h7-8,11,13H,2-6H2,1H3,(H2,10,14).
What are the key properties of 3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide?
3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide has a molecular weight of 201.27 g/mol, XLogP of -1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide is sourced from PubChem (CID 126980030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).