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

C12H19N3 — CID 82853593

IUPAC1-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
SMILESN#CC1(NCC2CC2)CCN2CCCC21
InChIInChI=1S/C12H19N3/c13-9-12(14-8-10-3-4-10)5-7-15-6-1-2-11(12)15/h10-11,14H,1-8H2
InChIKeyMGMSWCFXNLXBDU-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.12
Rot. Bonds3

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

1-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile (PubChem CID 82853593) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
PubChem CID82853593
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
SMILESN#CC1(NCC2CC2)CCN2CCCC21
InChIInChI=1S/C12H19N3/c13-9-12(14-8-10-3-4-10)5-7-15-6-1-2-11(12)15/h10-11,14H,1-8H2
InChIKeyMGMSWCFXNLXBDU-UHFFFAOYSA-N
XLogP1.12
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile?
The IUPAC name of 1-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile (CID 82853593) is 1-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile is N#CC1(NCC2CC2)CCN2CCCC21.
What is the InChIKey of 1-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile?
The InChIKey is MGMSWCFXNLXBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-9-12(14-8-10-3-4-10)5-7-15-6-1-2-11(12)15/h10-11,14H,1-8H2.
What are the key properties of 1-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile?
1-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile has a molecular weight of 205.30 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-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile is sourced from PubChem (CID 82853593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).