N-[2-(1,4-diazepan-1-yl)ethyl]acetamide

C9H19N3O — CID 43162540

IUPACN-[2-(1,4-diazepan-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCCNCC1
InChIInChI=1S/C9H19N3O/c1-9(13)11-5-8-12-6-2-3-10-4-7-12/h10H,2-8H2,1H3,(H,11,13)
InChIKeyGAOWNSDSZCMKBO-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.58
Rot. Bonds3

About N-[2-(1,4-diazepan-1-yl)ethyl]acetamide

N-[2-(1,4-diazepan-1-yl)ethyl]acetamide (PubChem CID 43162540) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[2-(1,4-diazepan-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,4-diazepan-1-yl)ethyl]acetamide
PubChem CID43162540
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-[2-(1,4-diazepan-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCCNCC1
InChIInChI=1S/C9H19N3O/c1-9(13)11-5-8-12-6-2-3-10-4-7-12/h10H,2-8H2,1H3,(H,11,13)
InChIKeyGAOWNSDSZCMKBO-UHFFFAOYSA-N
XLogP-0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide
CID 170730069
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3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide
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2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
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3-(1,4-diazepan-1-yl)-N-ethylpropanamide
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2-[4-(2-acetamidoethyl)-1,4-diazepan-1-yl]acetic acid
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N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide
CID 20736239
8-(1,4-diazepan-1-yl)octan-2-one
CID 18958812
N-[2-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methylamino]ethyl]acetamide
CID 70834106
1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea
CID 108910627
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-diazepan-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1,4-diazepan-1-yl)ethyl]acetamide (CID 43162540) is N-[2-(1,4-diazepan-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1,4-diazepan-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1,4-diazepan-1-yl)ethyl]acetamide is CC(=O)NCCN1CCCNCC1.
What is the InChIKey of N-[2-(1,4-diazepan-1-yl)ethyl]acetamide?
The InChIKey is GAOWNSDSZCMKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(13)11-5-8-12-6-2-3-10-4-7-12/h10H,2-8H2,1H3,(H,11,13).
What are the key properties of N-[2-(1,4-diazepan-1-yl)ethyl]acetamide?
N-[2-(1,4-diazepan-1-yl)ethyl]acetamide has a molecular weight of 185.27 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-diazepan-1-yl)ethyl]acetamide is sourced from PubChem (CID 43162540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).