1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile

C11H19N3 — CID 82854037

IUPAC1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
SMILESCCCNC1(C#N)CCN2CCCC21
InChIInChI=1S/C11H19N3/c1-2-6-13-11(9-12)5-8-14-7-3-4-10(11)14/h10,13H,2-8H2,1H3
InChIKeyAWTUGAOSMMLTSD-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.12
Rot. Bonds3

About 1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile

1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile (PubChem CID 82854037) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile.

Molecular Properties

Compound Name1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
PubChem CID82854037
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
SMILESCCCNC1(C#N)CCN2CCCC21
InChIInChI=1S/C11H19N3/c1-2-6-13-11(9-12)5-8-14-7-3-4-10(11)14/h10,13H,2-8H2,1H3
InChIKeyAWTUGAOSMMLTSD-UHFFFAOYSA-N
XLogP1.12
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
CID 82853593
1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
CID 82852829
1-(4-chloroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
CID 82852995
1-(4-bromoanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
CID 82853081
1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
CID 82852908
3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625038
7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine
CID 154510933
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197
2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79575959
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79564790
3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639773
2-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577480

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile?
The IUPAC name of 1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile (CID 82854037) is 1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile.
What is the SMILES notation for 1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile?
The canonical SMILES for 1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile is CCCNC1(C#N)CCN2CCCC21.
What is the InChIKey of 1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile?
The InChIKey is AWTUGAOSMMLTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-6-13-11(9-12)5-8-14-7-3-4-10(11)14/h10,13H,2-8H2,1H3.
What are the key properties of 1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile?
1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile has a molecular weight of 193.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile is sourced from PubChem (CID 82854037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).