ethane;ethyl 1,4-diazepane-1-carboxylate

C10H22N2O2 — CID 143666787

IUPACethane;ethyl 1,4-diazepane-1-carboxylate
SMILESCC.CCOC(=O)N1CCCNCC1
InChIInChI=1S/C8H16N2O2.C2H6/c1-2-12-8(11)10-6-3-4-9-5-7-10;1-2/h9H,2-7H2,1H3;1-2H3
InChIKeyFVLAKDUZYGFRPP-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.46
Rot. Bonds1

About ethane;ethyl 1,4-diazepane-1-carboxylate

ethane;ethyl 1,4-diazepane-1-carboxylate (PubChem CID 143666787) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethane;ethyl 1,4-diazepane-1-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 1,4-diazepane-1-carboxylate
PubChem CID143666787
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nameethane;ethyl 1,4-diazepane-1-carboxylate
SMILESCC.CCOC(=O)N1CCCNCC1
InChIInChI=1S/C8H16N2O2.C2H6/c1-2-12-8(11)10-6-3-4-9-5-7-10;1-2/h9H,2-7H2,1H3;1-2H3
InChIKeyFVLAKDUZYGFRPP-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 1,4-diazepane-1-carboxylate?
The IUPAC name of ethane;ethyl 1,4-diazepane-1-carboxylate (CID 143666787) is ethane;ethyl 1,4-diazepane-1-carboxylate.
What is the SMILES notation for ethane;ethyl 1,4-diazepane-1-carboxylate?
The canonical SMILES for ethane;ethyl 1,4-diazepane-1-carboxylate is CC.CCOC(=O)N1CCCNCC1.
What is the InChIKey of ethane;ethyl 1,4-diazepane-1-carboxylate?
The InChIKey is FVLAKDUZYGFRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C2H6/c1-2-12-8(11)10-6-3-4-9-5-7-10;1-2/h9H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 1,4-diazepane-1-carboxylate?
ethane;ethyl 1,4-diazepane-1-carboxylate has a molecular weight of 202.30 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 1,4-diazepane-1-carboxylate is sourced from PubChem (CID 143666787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).