N-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine

C14H26N2O — CID 103878267

IUPACN-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
SMILESC=CCCOCCNC1CC(C)N(C2CC2)C1
InChIInChI=1S/C14H26N2O/c1-3-4-8-17-9-7-15-13-10-12(2)16(11-13)14-5-6-14/h3,12-15H,1,4-11H2,2H3
InChIKeyCKCVQYVHQKEHHC-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.79
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine

N-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine (PubChem CID 103878267) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
PubChem CID103878267
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
SMILESC=CCCOCCNC1CC(C)N(C2CC2)C1
InChIInChI=1S/C14H26N2O/c1-3-4-8-17-9-7-15-13-10-12(2)16(11-13)14-5-6-14/h3,12-15H,1,4-11H2,2H3
InChIKeyCKCVQYVHQKEHHC-UHFFFAOYSA-N
XLogP1.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]ethanamine
CID 62580028
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine
CID 103339330
1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine
CID 103340360
N-(2-but-3-enoxyethyl)-1-methylpyrrolidin-3-amine
CID 103854375
N-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine
CID 103904997
N-(2-but-3-enoxyethyl)pyrrolidin-3-amine
CID 106397200
2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106397225
N-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 106397299
N-(2-but-3-enoxyethyl)-1-methylpiperidin-3-amine
CID 106397306
N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylethanamine
CID 106401814
1-(2-but-3-enoxyethyl)-N-ethylpyrrolidin-3-amine
CID 106402284
1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine
CID 106402287

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine (CID 103878267) is N-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine is C=CCCOCCNC1CC(C)N(C2CC2)C1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The InChIKey is CKCVQYVHQKEHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-4-8-17-9-7-15-13-10-12(2)16(11-13)14-5-6-14/h3,12-15H,1,4-11H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine?
N-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine has a molecular weight of 238.37 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 103878267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).