2-(3-aminopyrrolidin-3-yl)acetonitrile

C6H11N3 — CID 83681717

IUPAC2-(3-aminopyrrolidin-3-yl)acetonitrile
SMILESN#CCC1(N)CCNC1
InChIInChI=1S/C6H11N3/c7-3-1-6(8)2-4-9-5-6/h9H,1-2,4-5,8H2
InChIKeyHUIGZWUQSQWMLX-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.41
Rot. Bonds1

About 2-(3-aminopyrrolidin-3-yl)acetonitrile

2-(3-aminopyrrolidin-3-yl)acetonitrile (PubChem CID 83681717) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-3-yl)acetonitrile
PubChem CID83681717
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-(3-aminopyrrolidin-3-yl)acetonitrile
SMILESN#CCC1(N)CCNC1
InChIInChI=1S/C6H11N3/c7-3-1-6(8)2-4-9-5-6/h9H,1-2,4-5,8H2
InChIKeyHUIGZWUQSQWMLX-UHFFFAOYSA-N
XLogP-0.41
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)acetonitrile
CID 23024530
(3-aminopyrrolidin-3-yl)methanethiol
CID 19382154
(3-aminopyrrolidin-3-yl)methanol;hydrochloride
CID 129319695
2-(3-aminopyrrolidin-3-yl)acetamide
CID 83681833
1-(3-aminopyrrolidin-3-yl)propan-2-one
CID 115011479
2-(4-aminooxan-4-yl)acetonitrile;hydrochloride
CID 172915698
ethane;2-(4-methylpiperidin-4-yl)acetonitrile
CID 144903240
2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride
CID 175981962
3-aminopiperidine-3-carbonitrile
CID 79303333
methyl 2-(3-aminopyrrolidin-3-yl)acetate
CID 115012363
(3-aminoazepan-3-yl)methanol
CID 155145566
4-ethylpiperidin-4-amine;dihydrochloride
CID 86276736

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-3-yl)acetonitrile?
The IUPAC name of 2-(3-aminopyrrolidin-3-yl)acetonitrile (CID 83681717) is 2-(3-aminopyrrolidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(3-aminopyrrolidin-3-yl)acetonitrile?
The canonical SMILES for 2-(3-aminopyrrolidin-3-yl)acetonitrile is N#CCC1(N)CCNC1.
What is the InChIKey of 2-(3-aminopyrrolidin-3-yl)acetonitrile?
The InChIKey is HUIGZWUQSQWMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c7-3-1-6(8)2-4-9-5-6/h9H,1-2,4-5,8H2.
What are the key properties of 2-(3-aminopyrrolidin-3-yl)acetonitrile?
2-(3-aminopyrrolidin-3-yl)acetonitrile has a molecular weight of 125.17 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-3-yl)acetonitrile is sourced from PubChem (CID 83681717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).