2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile

C8H15N3 — CID 155330372

IUPAC2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile
SMILESCCN1CCCN(CC#N)C1
InChIInChI=1S/C8H15N3/c1-2-10-5-3-6-11(8-10)7-4-9/h2-3,5-8H2,1H3
InChIKeyHZPNRCPCUUWEDK-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.50
Rot. Bonds2

About 2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile

2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile (PubChem CID 155330372) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile
PubChem CID155330372
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile
SMILESCCN1CCCN(CC#N)C1
InChIInChI=1S/C8H15N3/c1-2-10-5-3-6-11(8-10)7-4-9/h2-3,5-8H2,1H3
InChIKeyHZPNRCPCUUWEDK-UHFFFAOYSA-N
XLogP0.50
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(methylideneamino)methyl]-1,3-diazinan-1-yl]acetonitrile
CID 155258251
2-(azonan-1-yl)acetonitrile
CID 127001300
1-ethyl-3-methyl-1,3-diazinane
CID 22044310
2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile
CID 62732365
2-(1-ethylazepan-4-yl)acetonitrile
CID 83914417
2-(1-ethylpiperidin-3-yl)acetonitrile
CID 83914081
1,6-diethyl-1,6-diazecane
CID 172611513
1-ethylpyrrolidine;hydrofluoride
CID 163271504
1-ethylpiperidine
CID 13007
hydron;1,3,5-triethyl-1,3,5-triazinane
CID 174488604
1-ethylpiperidine;methane
CID 162133943
ethane;1-ethylpiperidine
CID 90845344

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile?
The IUPAC name of 2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile (CID 155330372) is 2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile.
What is the SMILES notation for 2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile?
The canonical SMILES for 2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile is CCN1CCCN(CC#N)C1.
What is the InChIKey of 2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile?
The InChIKey is HZPNRCPCUUWEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-10-5-3-6-11(8-10)7-4-9/h2-3,5-8H2,1H3.
What are the key properties of 2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile?
2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile has a molecular weight of 153.23 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile is sourced from PubChem (CID 155330372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).