4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine

C10H20N2 — CID 79056040

IUPAC4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine
SMILESC=CC(N)C(C)(C)N1CCCC1
InChIInChI=1S/C10H20N2/c1-4-9(11)10(2,3)12-7-5-6-8-12/h4,9H,1,5-8,11H2,2-3H3
InChIKeyLQJIANACAWWRHD-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.37
Rot. Bonds3

About 4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine

4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine (PubChem CID 79056040) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine.

Molecular Properties

Compound Name4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine
PubChem CID79056040
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine
SMILESC=CC(N)C(C)(C)N1CCCC1
InChIInChI=1S/C10H20N2/c1-4-9(11)10(2,3)12-7-5-6-8-12/h4,9H,1,5-8,11H2,2-3H3
InChIKeyLQJIANACAWWRHD-UHFFFAOYSA-N
XLogP1.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
The IUPAC name of 4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine (CID 79056040) is 4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine.
What is the SMILES notation for 4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
The canonical SMILES for 4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine is C=CC(N)C(C)(C)N1CCCC1.
What is the InChIKey of 4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
The InChIKey is LQJIANACAWWRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-9(11)10(2,3)12-7-5-6-8-12/h4,9H,1,5-8,11H2,2-3H3.
What are the key properties of 4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine has a molecular weight of 168.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine is sourced from PubChem (CID 79056040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).