2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine

C12H24N2 — CID 79180283

IUPAC2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine
SMILESCC(C)=CC(N)C(C)(C)N1CCCC1
InChIInChI=1S/C12H24N2/c1-10(2)9-11(13)12(3,4)14-7-5-6-8-14/h9,11H,5-8,13H2,1-4H3
InChIKeyPKJSPMJMIQQEAG-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.15
Rot. Bonds3

About 2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine

2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine (PubChem CID 79180283) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine
PubChem CID79180283
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine
SMILESCC(C)=CC(N)C(C)(C)N1CCCC1
InChIInChI=1S/C12H24N2/c1-10(2)9-11(13)12(3,4)14-7-5-6-8-14/h9,11H,5-8,13H2,1-4H3
InChIKeyPKJSPMJMIQQEAG-UHFFFAOYSA-N
XLogP2.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.15
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 2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
The IUPAC name of 2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine (CID 79180283) is 2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine.
What is the SMILES notation for 2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
The canonical SMILES for 2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine is CC(C)=CC(N)C(C)(C)N1CCCC1.
What is the InChIKey of 2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
The InChIKey is PKJSPMJMIQQEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)9-11(13)12(3,4)14-7-5-6-8-14/h9,11H,5-8,13H2,1-4H3.
What are the key properties of 2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine has a molecular weight of 196.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine is sourced from PubChem (CID 79180283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).