6-(2-aminoethyl)-1,4-diazepan-2-one

C7H15N3O — CID 105430690

IUPAC6-(2-aminoethyl)-1,4-diazepan-2-one
SMILESNCCC1CNCC(=O)NC1
InChIInChI=1S/C7H15N3O/c8-2-1-6-3-9-5-7(11)10-4-6/h6,9H,1-5,8H2,(H,10,11)
InChIKeyCORFDJBWIVTRMN-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.33
Rot. Bonds2

About 6-(2-aminoethyl)-1,4-diazepan-2-one

6-(2-aminoethyl)-1,4-diazepan-2-one (PubChem CID 105430690) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 6-(2-aminoethyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-1,4-diazepan-2-one
PubChem CID105430690
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name6-(2-aminoethyl)-1,4-diazepan-2-one
SMILESNCCC1CNCC(=O)NC1
InChIInChI=1S/C7H15N3O/c8-2-1-6-3-9-5-7(11)10-4-6/h6,9H,1-5,8H2,(H,10,11)
InChIKeyCORFDJBWIVTRMN-UHFFFAOYSA-N
XLogP-1.33
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;4-(aminomethyl)pyrrolidin-2-one;hydride
CID 173198416
(4S)-4-(2-fluoroethyl)pyrrolidin-2-one
CID 175917688
5-(aminomethyl)piperidin-2-one
CID 10749203
4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide
CID 142081535
3-(2-aminoethyl)cyclobutan-1-one;hydrochloride
CID 121207911
(4R)-4-aminopyrrolidin-2-one;dihydrochloride
CID 121000296
4-nonylpyrrolidin-2-one
CID 143116205
4-hexylpyrrolidin-2-one
CID 18921442
4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one
CID 129355482
6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 173397349
4-ethylpyrrolidin-2-one;2-methylpropane;propane
CID 144516344
8-amino-1,4-diazonane-2,5-dione
CID 20847830

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-1,4-diazepan-2-one?
The IUPAC name of 6-(2-aminoethyl)-1,4-diazepan-2-one (CID 105430690) is 6-(2-aminoethyl)-1,4-diazepan-2-one.
What is the SMILES notation for 6-(2-aminoethyl)-1,4-diazepan-2-one?
The canonical SMILES for 6-(2-aminoethyl)-1,4-diazepan-2-one is NCCC1CNCC(=O)NC1.
What is the InChIKey of 6-(2-aminoethyl)-1,4-diazepan-2-one?
The InChIKey is CORFDJBWIVTRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-2-1-6-3-9-5-7(11)10-4-6/h6,9H,1-5,8H2,(H,10,11).
What are the key properties of 6-(2-aminoethyl)-1,4-diazepan-2-one?
6-(2-aminoethyl)-1,4-diazepan-2-one has a molecular weight of 157.22 g/mol, XLogP of -1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-1,4-diazepan-2-one is sourced from PubChem (CID 105430690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).