2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine

C11H22N2 — CID 79180122

IUPAC2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine
SMILESC=C(C)C(N)C(C)(C)N1CCCC1
InChIInChI=1S/C11H22N2/c1-9(2)10(12)11(3,4)13-7-5-6-8-13/h10H,1,5-8,12H2,2-4H3
InChIKeyMTGJHQNCVVDDPU-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.76
Rot. Bonds3

About 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine

2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine (PubChem CID 79180122) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine
PubChem CID79180122
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine
SMILESC=C(C)C(N)C(C)(C)N1CCCC1
InChIInChI=1S/C11H22N2/c1-9(2)10(12)11(3,4)13-7-5-6-8-13/h10H,1,5-8,12H2,2-4H3
InChIKeyMTGJHQNCVVDDPU-UHFFFAOYSA-N
XLogP1.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.76
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 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
The IUPAC name of 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine (CID 79180122) is 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine.
What is the SMILES notation for 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
The canonical SMILES for 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine is C=C(C)C(N)C(C)(C)N1CCCC1.
What is the InChIKey of 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
The InChIKey is MTGJHQNCVVDDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)10(12)11(3,4)13-7-5-6-8-13/h10H,1,5-8,12H2,2-4H3.
What are the key properties of 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine is sourced from PubChem (CID 79180122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).