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

C15H30N2 — CID 79186300

IUPAC2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine
SMILESC=C(C)CC(NCCC)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/h14,16H,2,6-12H2,1,3-5H3
InChIKeyQDNNTHKWFZSKKW-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds7

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

2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine (PubChem CID 79186300) 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-5-en-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine
PubChem CID79186300
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine
SMILESC=C(C)CC(NCCC)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/h14,16H,2,6-12H2,1,3-5H3
InChIKeyQDNNTHKWFZSKKW-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-5-en-3-amine?
The IUPAC name of 2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine (CID 79186300) is 2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine.
What is the SMILES notation for 2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine?
The canonical SMILES for 2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine is C=C(C)CC(NCCC)C(C)(C)N1CCCC1.
What is the InChIKey of 2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine?
The InChIKey is QDNNTHKWFZSKKW-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/h14,16H,2,6-12H2,1,3-5H3.
What are the key properties of 2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine?
2,5-dimethyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 7 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-5-en-3-amine is sourced from PubChem (CID 79186300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).