ethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine

C10H21N3 — CID 177181516

IUPACethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine
SMILESCC.CN1CCCC2NNC=C2C1
InChIInChI=1S/C8H15N3.C2H6/c1-11-4-2-3-8-7(6-11)5-9-10-8;1-2/h5,8-10H,2-4,6H2,1H3;1-2H3
InChIKeyYJMOMLFRJFJTIG-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.10
Rot. Bonds

About ethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine

ethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine (PubChem CID 177181516) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is ethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine.

Molecular Properties

Compound Nameethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine
PubChem CID177181516
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Nameethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine
SMILESCC.CN1CCCC2NNC=C2C1
InChIInChI=1S/C8H15N3.C2H6/c1-11-4-2-3-8-7(6-11)5-9-10-8;1-2/h5,8-10H,2-4,6H2,1H3;1-2H3
InChIKeyYJMOMLFRJFJTIG-UHFFFAOYSA-N
XLogP1.10
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-hydrazinyl-5-methylhex-5-en-1-amine
CID 105244190
N,N-diethyl-3-hydrazinyl-4-methylpent-4-en-1-amine
CID 105244199
[1-(1,4-Dimethyl-1,4-diazepan-2-yl)-4-methylpent-4-enyl]hydrazine
CID 105261240
[1-(1,4-Dimethyl-1,4-diazepan-2-yl)-3-methylbut-3-enyl]hydrazine
CID 105261340
[1-(1,4-Dimethyl-1,4-diazepan-2-yl)-3-methylidenepentyl]hydrazine
CID 105261344
[1-(1,4-Dimethyl-1,4-diazepan-2-yl)-2-methylprop-2-enyl]hydrazine
CID 105261345
5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine
CID 177181517

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine?
The IUPAC name of ethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine (CID 177181516) is ethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine.
What is the SMILES notation for ethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine?
The canonical SMILES for ethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine is CC.CN1CCCC2NNC=C2C1.
What is the InChIKey of ethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine?
The InChIKey is YJMOMLFRJFJTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.C2H6/c1-11-4-2-3-8-7(6-11)5-9-10-8;1-2/h5,8-10H,2-4,6H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine?
ethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine has a molecular weight of 183.30 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine is sourced from PubChem (CID 177181516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).