3-amino-1-ethylpyrrolidine-3-carbonitrile

C7H13N3 — CID 117012936

IUPAC3-amino-1-ethylpyrrolidine-3-carbonitrile
SMILESCCN1CCC(N)(C#N)C1
InChIInChI=1S/C7H13N3/c1-2-10-4-3-7(9,5-8)6-10/h2-4,6,9H2,1H3
InChIKeyNHDPENOQVPNQAR-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.07
Rot. Bonds1

About 3-amino-1-ethylpyrrolidine-3-carbonitrile

3-amino-1-ethylpyrrolidine-3-carbonitrile (PubChem CID 117012936) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-amino-1-ethylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-amino-1-ethylpyrrolidine-3-carbonitrile
PubChem CID117012936
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-amino-1-ethylpyrrolidine-3-carbonitrile
SMILESCCN1CCC(N)(C#N)C1
InChIInChI=1S/C7H13N3/c1-2-10-4-3-7(9,5-8)6-10/h2-4,6,9H2,1H3
InChIKeyNHDPENOQVPNQAR-UHFFFAOYSA-N
XLogP-0.07
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-pentylpiperidine-3-carbonitrile
CID 117012870
1-ethyl-4-hydroxypiperidine-4-carbonitrile
CID 43436600
3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile
CID 117012947
3-amino-1-(4-ethylphenyl)pyrrolidine-3-carbonitrile
CID 117012971
1,4-diaminopiperidine-4-carbonitrile
CID 142484897
1-ethyl-4-methoxypiperidine-4-carbonitrile
CID 130519331
6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene
CID 121460088
(4-cyano-1-ethylpiperidin-4-yl)carbamic acid
CID 90106138
4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
CID 22972970
1-ethyl-4,4-dimethylpiperidine;hydrate
CID 178113144
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
1,3-diethylpyrrolidin-3-ol
CID 67586028

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethylpyrrolidine-3-carbonitrile?
The IUPAC name of 3-amino-1-ethylpyrrolidine-3-carbonitrile (CID 117012936) is 3-amino-1-ethylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-amino-1-ethylpyrrolidine-3-carbonitrile?
The canonical SMILES for 3-amino-1-ethylpyrrolidine-3-carbonitrile is CCN1CCC(N)(C#N)C1.
What is the InChIKey of 3-amino-1-ethylpyrrolidine-3-carbonitrile?
The InChIKey is NHDPENOQVPNQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-10-4-3-7(9,5-8)6-10/h2-4,6,9H2,1H3.
What are the key properties of 3-amino-1-ethylpyrrolidine-3-carbonitrile?
3-amino-1-ethylpyrrolidine-3-carbonitrile has a molecular weight of 139.20 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 117012936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).