2-amino-1-(1,4-diazepan-1-yl)ethanone

C7H15N3O — CID 15634376

IUPAC2-amino-1-(1,4-diazepan-1-yl)ethanone
SMILESNCC(=O)N1CCCNCC1
InChIInChI=1S/C7H15N3O/c8-6-7(11)10-4-1-2-9-3-5-10/h9H,1-6,8H2
InChIKeyIYQUCXSSBAAVPF-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.23
Rot. Bonds1

About 2-amino-1-(1,4-diazepan-1-yl)ethanone

2-amino-1-(1,4-diazepan-1-yl)ethanone (PubChem CID 15634376) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-amino-1-(1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1,4-diazepan-1-yl)ethanone
PubChem CID15634376
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-amino-1-(1,4-diazepan-1-yl)ethanone
SMILESNCC(=O)N1CCCNCC1
InChIInChI=1S/C7H15N3O/c8-6-7(11)10-4-1-2-9-3-5-10/h9H,1-6,8H2
InChIKeyIYQUCXSSBAAVPF-UHFFFAOYSA-N
XLogP-1.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,4-diazepan-1-yl)ethanone?
The IUPAC name of 2-amino-1-(1,4-diazepan-1-yl)ethanone (CID 15634376) is 2-amino-1-(1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(1,4-diazepan-1-yl)ethanone is NCC(=O)N1CCCNCC1.
What is the InChIKey of 2-amino-1-(1,4-diazepan-1-yl)ethanone?
The InChIKey is IYQUCXSSBAAVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-6-7(11)10-4-1-2-9-3-5-10/h9H,1-6,8H2.
What are the key properties of 2-amino-1-(1,4-diazepan-1-yl)ethanone?
2-amino-1-(1,4-diazepan-1-yl)ethanone has a molecular weight of 157.22 g/mol, XLogP of -1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 15634376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).