1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

C11H21N3 — CID 82853328

IUPAC1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESC=CCNC1(CN)CCN2CCCC21
InChIInChI=1S/C11H21N3/c1-2-6-13-11(9-12)5-8-14-7-3-4-10(11)14/h2,10,13H,1,3-9,12H2
InChIKeyOOLZZYKTQNYKDH-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.33
Rot. Bonds4

About 1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (PubChem CID 82853328) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
PubChem CID82853328
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESC=CCNC1(CN)CCN2CCCC21
InChIInChI=1S/C11H21N3/c1-2-6-13-11(9-12)5-8-14-7-3-4-10(11)14/h2,10,13H,1,3-9,12H2
InChIKeyOOLZZYKTQNYKDH-UHFFFAOYSA-N
XLogP0.33
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The IUPAC name of 1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (CID 82853328) is 1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is C=CCNC1(CN)CCN2CCCC21.
What is the InChIKey of 1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The InChIKey is OOLZZYKTQNYKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-6-13-11(9-12)5-8-14-7-3-4-10(11)14/h2,10,13H,1,3-9,12H2.
What are the key properties of 1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine has a molecular weight of 195.31 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is sourced from PubChem (CID 82853328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).