1,3-diethylpyrrolidine;formonitrile

C9H18N2 — CID 175874911

IUPAC1,3-diethylpyrrolidine;formonitrile
SMILESC#N.CCC1CCN(CC)C1
InChIInChI=1S/C8H17N.CHN/c1-3-8-5-6-9(4-2)7-8;1-2/h8H,3-7H2,1-2H3;1H
InChIKeyINDPNCFWQDVUES-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.88
Rot. Bonds2

About 1,3-diethylpyrrolidine;formonitrile

1,3-diethylpyrrolidine;formonitrile (PubChem CID 175874911) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1,3-diethylpyrrolidine;formonitrile.

Molecular Properties

Compound Name1,3-diethylpyrrolidine;formonitrile
PubChem CID175874911
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1,3-diethylpyrrolidine;formonitrile
SMILESC#N.CCC1CCN(CC)C1
InChIInChI=1S/C8H17N.CHN/c1-3-8-5-6-9(4-2)7-8;1-2/h8H,3-7H2,1-2H3;1H
InChIKeyINDPNCFWQDVUES-UHFFFAOYSA-N
XLogP1.88
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diethylpyrrolidine;ethane
CID 145103245
1,3-diethylpyrrolidine;ethane;molecular hydrogen
CID 143628979
1,4-diethylpiperidine;ethane
CID 143709904
(3-ethylpyrrolidin-1-yl)methanamine
CID 57317446
1-ethyl-3-propylpyrrolidine;hydrochloride
CID 175849509
1,4-diethylazepane
CID 67522864
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
4-ethyl-1-methylpiperidine;formonitrile
CID 175849532
1,4-diethylpiperidine;1-ethyl-4-methylpiperazine
CID 143157970
1-(1-ethylpyrrolidin-3-yl)propan-2-one
CID 91527917
1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
CID 169182399
3-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 67281983

Frequently Asked Questions

What is the IUPAC name of 1,3-diethylpyrrolidine;formonitrile?
The IUPAC name of 1,3-diethylpyrrolidine;formonitrile (CID 175874911) is 1,3-diethylpyrrolidine;formonitrile.
What is the SMILES notation for 1,3-diethylpyrrolidine;formonitrile?
The canonical SMILES for 1,3-diethylpyrrolidine;formonitrile is C#N.CCC1CCN(CC)C1.
What is the InChIKey of 1,3-diethylpyrrolidine;formonitrile?
The InChIKey is INDPNCFWQDVUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.CHN/c1-3-8-5-6-9(4-2)7-8;1-2/h8H,3-7H2,1-2H3;1H.
What are the key properties of 1,3-diethylpyrrolidine;formonitrile?
1,3-diethylpyrrolidine;formonitrile has a molecular weight of 154.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylpyrrolidine;formonitrile is sourced from PubChem (CID 175874911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).