2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile

C10H17N3 — CID 10654942

IUPAC2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile
SMILESN#CC(N)CC12CCCN1CCC2
InChIInChI=1S/C10H17N3/c11-8-9(12)7-10-3-1-5-13(10)6-2-4-10/h9H,1-7,12H2
InChIKeyQMVHAVXCGWGEDU-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.86
Rot. Bonds2

About 2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile

2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile (PubChem CID 10654942) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile.

Molecular Properties

Compound Name2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile
PubChem CID10654942
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile
SMILESN#CC(N)CC12CCCN1CCC2
InChIInChI=1S/C10H17N3/c11-8-9(12)7-10-3-1-5-13(10)6-2-4-10/h9H,1-7,12H2
InChIKeyQMVHAVXCGWGEDU-UHFFFAOYSA-N
XLogP0.86
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Hexahydro-1H-pyrrolizin-7a-yl)ethanamine
CID 10796977
hexahydro-1H-pyrrolizine-7a-carbonitrile
CID 11029899
2-(hexahydro-1H-pyrrolizin-7a-yl)ethan-1-amine dihydrochloride
CID 53444461
1-(2,2,2-Trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
CID 82854042
5-(2-Methylaminoethyl)-1-azabicyclo[3.3.0]octane
CID 10559044
2-(Hexahydro-1H-pyrrolizin-7a-yl)acetonitrile
CID 10773140
[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine
CID 11521088
(hexahydro-1H-pyrrolizin-1-yl)methanamine
CID 15095969
1-(tetrahydro-1H-pyrrolizin-7a(5H)-yl)ethan-1-amine
CID 20083267
8-(2-Aminoethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-amine
CID 21741043
3,5-Dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile
CID 67943587
N-[(4-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl)methyl]propan-2-amine
CID 89458606

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile?
The IUPAC name of 2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile (CID 10654942) is 2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile.
What is the SMILES notation for 2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile?
The canonical SMILES for 2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile is N#CC(N)CC12CCCN1CCC2.
What is the InChIKey of 2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile?
The InChIKey is QMVHAVXCGWGEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-8-9(12)7-10-3-1-5-13(10)6-2-4-10/h9H,1-7,12H2.
What are the key properties of 2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile?
2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile has a molecular weight of 179.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)propanenitrile is sourced from PubChem (CID 10654942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).