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

C15H30N2 — CID 79177530

IUPAC2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-4-en-3-amine
SMILESCCCNC(C=C(C)C)C(C)(C)N1CCCC1
InChIInChI=1S/C15H30N2/c1-6-9-16-14(12-13(2)3)15(4,5)17-10-7-8-11-17/h12,14,16H,6-11H2,1-5H3
InChIKeyBWFJLIVNGAFULQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds6

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

2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-4-en-3-amine (PubChem CID 79177530) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-4-en-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-4-en-3-amine
PubChem CID79177530
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-4-en-3-amine
SMILESCCCNC(C=C(C)C)C(C)(C)N1CCCC1
InChIInChI=1S/C15H30N2/c1-6-9-16-14(12-13(2)3)15(4,5)17-10-7-8-11-17/h12,14,16H,6-11H2,1-5H3
InChIKeyBWFJLIVNGAFULQ-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.20
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-N-propyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
The IUPAC name of 2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-4-en-3-amine (CID 79177530) is 2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-4-en-3-amine.
What is the SMILES notation for 2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
The canonical SMILES for 2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-4-en-3-amine is CCCNC(C=C(C)C)C(C)(C)N1CCCC1.
What is the InChIKey of 2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
The InChIKey is BWFJLIVNGAFULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-9-16-14(12-13(2)3)15(4,5)17-10-7-8-11-17/h12,14,16H,6-11H2,1-5H3.
What are the key properties of 2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-4-en-3-amine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-4-en-3-amine is sourced from PubChem (CID 79177530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).