2-(1,4-diazepan-1-yl)-2-propylpentanamide

C13H27N3O — CID 61005752

IUPAC2-(1,4-diazepan-1-yl)-2-propylpentanamide
SMILESCCCC(CCC)(C(N)=O)N1CCCNCC1
InChIInChI=1S/C13H27N3O/c1-3-6-13(7-4-2,12(14)17)16-10-5-8-15-9-11-16/h15H,3-11H2,1-2H3,(H2,14,17)
InChIKeyWZFARXLACUFBLC-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.11
Rot. Bonds6

About 2-(1,4-diazepan-1-yl)-2-propylpentanamide

2-(1,4-diazepan-1-yl)-2-propylpentanamide (PubChem CID 61005752) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-2-propylpentanamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-2-propylpentanamide
PubChem CID61005752
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(1,4-diazepan-1-yl)-2-propylpentanamide
SMILESCCCC(CCC)(C(N)=O)N1CCCNCC1
InChIInChI=1S/C13H27N3O/c1-3-6-13(7-4-2,12(14)17)16-10-5-8-15-9-11-16/h15H,3-11H2,1-2H3,(H2,14,17)
InChIKeyWZFARXLACUFBLC-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 106523258
ethyl 2-cyclopropyl-2-(1,4-diazepan-1-yl)pentanoate
CID 114276047
ethyl 2-(1,4-diazepan-1-yl)-3-methoxy-2-methylpropanoate
CID 62536282
ethyl 2-(1,4-diazepan-1-yl)-2,4-dimethylpentanoate
CID 54890908
2-methyl-2-piperidin-1-ylpentanamide
CID 67908244
1-(2-methylhexan-2-yl)-1,4-diazepane
CID 155280442
1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014
1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004
2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide
CID 54891219
ethyl 2-(1,4-diazepan-1-yl)-2-phenylpropanoate
CID 60992972
ethyl 2-methyl-2-piperazin-1-ylbutanoate
CID 61001895
2-(1,4-oxazepan-4-yl)-2-propylpentanoic acid
CID 114994067

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-2-propylpentanamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-2-propylpentanamide (CID 61005752) is 2-(1,4-diazepan-1-yl)-2-propylpentanamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-2-propylpentanamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-2-propylpentanamide is CCCC(CCC)(C(N)=O)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-2-propylpentanamide?
The InChIKey is WZFARXLACUFBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-6-13(7-4-2,12(14)17)16-10-5-8-15-9-11-16/h15H,3-11H2,1-2H3,(H2,14,17).
What are the key properties of 2-(1,4-diazepan-1-yl)-2-propylpentanamide?
2-(1,4-diazepan-1-yl)-2-propylpentanamide has a molecular weight of 241.38 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-2-propylpentanamide is sourced from PubChem (CID 61005752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).