6-ethyl-1,4-diazepan-6-amine

C7H17N3 — CID 59136550

IUPAC6-ethyl-1,4-diazepan-6-amine
SMILESCCC1(N)CNCCNC1
InChIInChI=1S/C7H17N3/c1-2-7(8)5-9-3-4-10-6-7/h9-10H,2-6,8H2,1H3
InChIKeyJOYCCGAUBFEGGR-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.71
Rot. Bonds1

About 6-ethyl-1,4-diazepan-6-amine

6-ethyl-1,4-diazepan-6-amine (PubChem CID 59136550) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 6-ethyl-1,4-diazepan-6-amine.

Molecular Properties

Compound Name6-ethyl-1,4-diazepan-6-amine
PubChem CID59136550
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name6-ethyl-1,4-diazepan-6-amine
SMILESCCC1(N)CNCCNC1
InChIInChI=1S/C7H17N3/c1-2-7(8)5-9-3-4-10-6-7/h9-10H,2-6,8H2,1H3
InChIKeyJOYCCGAUBFEGGR-UHFFFAOYSA-N
XLogP-0.71
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,4-diazepan-6-amine?
The IUPAC name of 6-ethyl-1,4-diazepan-6-amine (CID 59136550) is 6-ethyl-1,4-diazepan-6-amine.
What is the SMILES notation for 6-ethyl-1,4-diazepan-6-amine?
The canonical SMILES for 6-ethyl-1,4-diazepan-6-amine is CCC1(N)CNCCNC1.
What is the InChIKey of 6-ethyl-1,4-diazepan-6-amine?
The InChIKey is JOYCCGAUBFEGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-2-7(8)5-9-3-4-10-6-7/h9-10H,2-6,8H2,1H3.
What are the key properties of 6-ethyl-1,4-diazepan-6-amine?
6-ethyl-1,4-diazepan-6-amine has a molecular weight of 143.23 g/mol, XLogP of -0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,4-diazepan-6-amine is sourced from PubChem (CID 59136550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).