2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

C14H25N3O — CID 112630380

IUPAC2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCC(C(C)N)C1
InChIInChI=1S/C14H25N3O/c1-4-7-17(8-5-2)14(18)11-16-9-6-13(10-16)12(3)15/h4-5,12-13H,1-2,6-11,15H2,3H3
InChIKeyCKQUGMMRQMKLSI-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.86
Rot. Bonds7

About 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 112630380) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID112630380
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCC(C(C)N)C1
InChIInChI=1S/C14H25N3O/c1-4-7-17(8-5-2)14(18)11-16-9-6-13(10-16)12(3)15/h4-5,12-13H,1-2,6-11,15H2,3H3
InChIKeyCKQUGMMRQMKLSI-UHFFFAOYSA-N
XLogP0.86
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.86
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

2-(4-aminopiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 43556819
2-[4-(1-aminoethyl)piperidin-1-yl]-N,N-dipropylacetamide
CID 55217068
ethyl (3R)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 81338286
1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine
CID 103976469
2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 62546166
1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 50983691
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 112630179
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 103976457
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94158736
2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 62656728
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 115969261
2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 50974093

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 112630380) is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CCC(C(C)N)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is CKQUGMMRQMKLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-7-17(8-5-2)14(18)11-16-9-6-13(10-16)12(3)15/h4-5,12-13H,1-2,6-11,15H2,3H3.
What are the key properties of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 251.37 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 112630380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).