1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine

C14H26N2O — CID 114264046

IUPAC1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine
SMILESC=CCOC(C)CNC1CC(C)N(C2CC2)C1
InChIInChI=1S/C14H26N2O/c1-4-7-17-12(3)9-15-13-8-11(2)16(10-13)14-5-6-14/h4,11-15H,1,5-10H2,2-3H3
InChIKeyQBCAQWZILZWIHJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.79
Rot. Bonds7

About 1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine

1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine (PubChem CID 114264046) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine
PubChem CID114264046
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine
SMILESC=CCOC(C)CNC1CC(C)N(C2CC2)C1
InChIInChI=1S/C14H26N2O/c1-4-7-17-12(3)9-15-13-8-11(2)16(10-13)14-5-6-14/h4,11-15H,1,5-10H2,2-3H3
InChIKeyQBCAQWZILZWIHJ-UHFFFAOYSA-N
XLogP1.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-4-prop-2-enoxypyrrolidin-3-amine
CID 163445721
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-prop-2-enylcyclopropanamine
CID 81812373
N-(2-prop-2-enoxypentyl)cyclopropanamine
CID 83045520
N-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 103878267
1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine
CID 104584666
1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 113343766
3-Cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane
CID 114264830
3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 114466264
1-cyclopropyl-N-(2-ethoxypropyl)-5-methylpyrrolidin-3-amine
CID 115724348
1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 115894078
1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 115894184

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine (CID 114264046) is 1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine is C=CCOC(C)CNC1CC(C)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine?
The InChIKey is QBCAQWZILZWIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-7-17-12(3)9-15-13-8-11(2)16(10-13)14-5-6-14/h4,11-15H,1,5-10H2,2-3H3.
What are the key properties of 1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine?
1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine has a molecular weight of 238.37 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine is sourced from PubChem (CID 114264046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).