1-(diazepan-1-yl)ethanamine

C7H17N3 — CID 173102970

IUPAC1-(diazepan-1-yl)ethanamine
SMILESCC(N)N1CCCCCN1
InChIInChI=1S/C7H17N3/c1-7(8)10-6-4-2-3-5-9-10/h7,9H,2-6,8H2,1H3
InChIKeyXTFNTSLIUBLFGY-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.28
Rot. Bonds1

About 1-(diazepan-1-yl)ethanamine

1-(diazepan-1-yl)ethanamine (PubChem CID 173102970) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(diazepan-1-yl)ethanamine.

Molecular Properties

Compound Name1-(diazepan-1-yl)ethanamine
PubChem CID173102970
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1-(diazepan-1-yl)ethanamine
SMILESCC(N)N1CCCCCN1
InChIInChI=1S/C7H17N3/c1-7(8)10-6-4-2-3-5-9-10/h7,9H,2-6,8H2,1H3
InChIKeyXTFNTSLIUBLFGY-UHFFFAOYSA-N
XLogP0.28
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(diazepan-1-yl)ethanamine?
The IUPAC name of 1-(diazepan-1-yl)ethanamine (CID 173102970) is 1-(diazepan-1-yl)ethanamine.
What is the SMILES notation for 1-(diazepan-1-yl)ethanamine?
The canonical SMILES for 1-(diazepan-1-yl)ethanamine is CC(N)N1CCCCCN1.
What is the InChIKey of 1-(diazepan-1-yl)ethanamine?
The InChIKey is XTFNTSLIUBLFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-7(8)10-6-4-2-3-5-9-10/h7,9H,2-6,8H2,1H3.
What are the key properties of 1-(diazepan-1-yl)ethanamine?
1-(diazepan-1-yl)ethanamine has a molecular weight of 143.23 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazepan-1-yl)ethanamine is sourced from PubChem (CID 173102970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).