2-(3-methylbut-3-enyl)pyrrolidin-1-amine

C9H18N2 — CID 123691833

IUPAC2-(3-methylbut-3-enyl)pyrrolidin-1-amine
SMILESC=C(C)CCC1CCCN1N
InChIInChI=1S/C9H18N2/c1-8(2)5-6-9-4-3-7-11(9)10/h9H,1,3-7,10H2,2H3
InChIKeyOJPOUEAERTURSW-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.68
Rot. Bonds3

About 2-(3-methylbut-3-enyl)pyrrolidin-1-amine

2-(3-methylbut-3-enyl)pyrrolidin-1-amine (PubChem CID 123691833) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-(3-methylbut-3-enyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name2-(3-methylbut-3-enyl)pyrrolidin-1-amine
PubChem CID123691833
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-(3-methylbut-3-enyl)pyrrolidin-1-amine
SMILESC=C(C)CCC1CCCN1N
InChIInChI=1S/C9H18N2/c1-8(2)5-6-9-4-3-7-11(9)10/h9H,1,3-7,10H2,2H3
InChIKeyOJPOUEAERTURSW-UHFFFAOYSA-N
XLogP1.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-But-1-en-2-yl-4,4-difluoropyrrolidin-1-amine
CID 154985806
(2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine
CID 135032990
(2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine
CID 135045780
(2R)-2-methyl-4-methylidenepyrrolidin-1-amine
CID 89010672
1-Methyl-2-(3-methylbut-3-enyl)pyrrolidine
CID 89426426
1-Methyl-1-(7-methyl-6-methylideneoct-7-enyl)hydrazine
CID 126490082
(2S)-1-methyl-2-(3-methylbut-3-enyl)pyrrolidine
CID 134417932
5-But-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine
CID 154985843
2-(2-Methylidenebutyl)-1-propylpyrrolidine
CID 155306390
1-(7-Methyloct-7-en-4-yl)-1-propylhydrazine
CID 167133711
1-Ethyl-1-(2-methylideneoctyl)hydrazine
CID 170285105
1-Methyl-1-(2-methylhept-1-en-3-yl)hydrazine
CID 170293770

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-enyl)pyrrolidin-1-amine?
The IUPAC name of 2-(3-methylbut-3-enyl)pyrrolidin-1-amine (CID 123691833) is 2-(3-methylbut-3-enyl)pyrrolidin-1-amine.
What is the SMILES notation for 2-(3-methylbut-3-enyl)pyrrolidin-1-amine?
The canonical SMILES for 2-(3-methylbut-3-enyl)pyrrolidin-1-amine is C=C(C)CCC1CCCN1N.
What is the InChIKey of 2-(3-methylbut-3-enyl)pyrrolidin-1-amine?
The InChIKey is OJPOUEAERTURSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)5-6-9-4-3-7-11(9)10/h9H,1,3-7,10H2,2H3.
What are the key properties of 2-(3-methylbut-3-enyl)pyrrolidin-1-amine?
2-(3-methylbut-3-enyl)pyrrolidin-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enyl)pyrrolidin-1-amine is sourced from PubChem (CID 123691833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).