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

C14H28N2 — CID 79045370

IUPAC2-methyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine
SMILESC=CCC(NCCC)C(C)(C)N1CCCC1
InChIInChI=1S/C14H28N2/c1-5-9-13(15-10-6-2)14(3,4)16-11-7-8-12-16/h5,13,15H,1,6-12H2,2-4H3
InChIKeyIAKXBJOKWQHDJU-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds7

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

2-methyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine (PubChem CID 79045370) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-methyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine
PubChem CID79045370
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-methyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine
SMILESC=CCC(NCCC)C(C)(C)N1CCCC1
InChIInChI=1S/C14H28N2/c1-5-9-13(15-10-6-2)14(3,4)16-11-7-8-12-16/h5,13,15H,1,6-12H2,2-4H3
InChIKeyIAKXBJOKWQHDJU-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.81
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-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine?
The IUPAC name of 2-methyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine (CID 79045370) is 2-methyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine.
What is the SMILES notation for 2-methyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine?
The canonical SMILES for 2-methyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine is C=CCC(NCCC)C(C)(C)N1CCCC1.
What is the InChIKey of 2-methyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine?
The InChIKey is IAKXBJOKWQHDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-9-13(15-10-6-2)14(3,4)16-11-7-8-12-16/h5,13,15H,1,6-12H2,2-4H3.
What are the key properties of 2-methyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine?
2-methyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-2-pyrrolidin-1-ylhex-5-en-3-amine is sourced from PubChem (CID 79045370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).