3-(1,4-diazepan-1-yl)-N-ethylpropanamide

C10H21N3O — CID 62324150

IUPAC3-(1,4-diazepan-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCCNCC1
InChIInChI=1S/C10H21N3O/c1-2-12-10(14)4-8-13-7-3-5-11-6-9-13/h11H,2-9H2,1H3,(H,12,14)
InChIKeyJYIMMBNLDXOGDI-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.19
Rot. Bonds4

About 3-(1,4-diazepan-1-yl)-N-ethylpropanamide

3-(1,4-diazepan-1-yl)-N-ethylpropanamide (PubChem CID 62324150) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-(1,4-diazepan-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(1,4-diazepan-1-yl)-N-ethylpropanamide
PubChem CID62324150
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-(1,4-diazepan-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCCNCC1
InChIInChI=1S/C10H21N3O/c1-2-12-10(14)4-8-13-7-3-5-11-6-9-13/h11H,2-9H2,1H3,(H,12,14)
InChIKeyJYIMMBNLDXOGDI-UHFFFAOYSA-N
XLogP-0.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid
CID 122170238
N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide
CID 43162430
N-[2-(1,4-diazepan-1-yl)ethyl]acetamide
CID 43162540
3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide
CID 62325479
N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride
CID 120980560
N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide
CID 107408256
N-(3-methoxypropyl)-3-piperazin-1-ylpropanamide
CID 28807760
N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 115650073
8-(1,4-diazepan-1-yl)octan-2-one
CID 18958812
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
CID 119393390
3-piperidin-1-yl-N-propylpropanamide
CID 110688262
5-(1,4-diazepan-1-yl)pentanoic acid
CID 61397954

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diazepan-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(1,4-diazepan-1-yl)-N-ethylpropanamide (CID 62324150) is 3-(1,4-diazepan-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(1,4-diazepan-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(1,4-diazepan-1-yl)-N-ethylpropanamide is CCNC(=O)CCN1CCCNCC1.
What is the InChIKey of 3-(1,4-diazepan-1-yl)-N-ethylpropanamide?
The InChIKey is JYIMMBNLDXOGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-12-10(14)4-8-13-7-3-5-11-6-9-13/h11H,2-9H2,1H3,(H,12,14).
What are the key properties of 3-(1,4-diazepan-1-yl)-N-ethylpropanamide?
3-(1,4-diazepan-1-yl)-N-ethylpropanamide has a molecular weight of 199.30 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diazepan-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 62324150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).