2-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine

C11H22N2 — CID 79056803

IUPAC2-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine
SMILESC=CCC(N)C(C)(C)N1CCCC1
InChIInChI=1S/C11H22N2/c1-4-7-10(12)11(2,3)13-8-5-6-9-13/h4,10H,1,5-9,12H2,2-3H3
InChIKeyZWHDBBPIOYGNHN-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.76
Rot. Bonds4

About 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine

2-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine (PubChem CID 79056803) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine.

Molecular Properties

Compound Name2-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine
PubChem CID79056803
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine
SMILESC=CCC(N)C(C)(C)N1CCCC1
InChIInChI=1S/C11H22N2/c1-4-7-10(12)11(2,3)13-8-5-6-9-13/h4,10H,1,5-9,12H2,2-3H3
InChIKeyZWHDBBPIOYGNHN-UHFFFAOYSA-N
XLogP1.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine?
The IUPAC name of 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine (CID 79056803) is 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine.
What is the SMILES notation for 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine?
The canonical SMILES for 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine is C=CCC(N)C(C)(C)N1CCCC1.
What is the InChIKey of 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine?
The InChIKey is ZWHDBBPIOYGNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-7-10(12)11(2,3)13-8-5-6-9-13/h4,10H,1,5-9,12H2,2-3H3.
What are the key properties of 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine?
2-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine is sourced from PubChem (CID 79056803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).