N,2,5-trimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine

C13H26N2 — CID 79180456

IUPACN,2,5-trimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine
SMILESCNC(C=C(C)C)C(C)(C)N1CCCC1
InChIInChI=1S/C13H26N2/c1-11(2)10-12(14-5)13(3,4)15-8-6-7-9-15/h10,12,14H,6-9H2,1-5H3
InChIKeyDWEKIFINBZQYQU-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.41
Rot. Bonds4

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

N,2,5-trimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine (PubChem CID 79180456) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N,2,5-trimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine
PubChem CID79180456
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN,2,5-trimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine
SMILESCNC(C=C(C)C)C(C)(C)N1CCCC1
InChIInChI=1S/C13H26N2/c1-11(2)10-12(14-5)13(3,4)15-8-6-7-9-15/h10,12,14H,6-9H2,1-5H3
InChIKeyDWEKIFINBZQYQU-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.41
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 N,2,5-trimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
The IUPAC name of N,2,5-trimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine (CID 79180456) is N,2,5-trimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine.
What is the SMILES notation for N,2,5-trimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
The canonical SMILES for N,2,5-trimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine is CNC(C=C(C)C)C(C)(C)N1CCCC1.
What is the InChIKey of N,2,5-trimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
The InChIKey is DWEKIFINBZQYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(2)10-12(14-5)13(3,4)15-8-6-7-9-15/h10,12,14H,6-9H2,1-5H3.
What are the key properties of N,2,5-trimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
N,2,5-trimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine is sourced from PubChem (CID 79180456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).