1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide

C13H25N3 — CID 123950440

IUPAC1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide
SMILESCC=CN/C(=N\C)C1CCCN1C(C)CC
InChIInChI=1S/C13H25N3/c1-5-9-15-13(14-4)12-8-7-10-16(12)11(3)6-2/h5,9,11-12H,6-8,10H2,1-4H3,(H,14,15)
InChIKeyYDDMZRUSQMPZLL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.40
Rot. Bonds4

About 1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide

1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide (PubChem CID 123950440) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide
PubChem CID123950440
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide
SMILESCC=CN/C(=N\C)C1CCCN1C(C)CC
InChIInChI=1S/C13H25N3/c1-5-9-15-13(14-4)12-8-7-10-16(12)11(3)6-2/h5,9,11-12H,6-8,10H2,1-4H3,(H,14,15)
InChIKeyYDDMZRUSQMPZLL-UHFFFAOYSA-N
XLogP2.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-yl)-N-[(Z)-prop-1-enyl]ethanimidamide
CID 68026758
N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide
CID 123954546
N-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide
CID 134270645
2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide
CID 141155166
N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine
CID 144768522
N-ethenyl-N'-methylpyrrolidine-2-carboximidamide
CID 145201844
N-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide
CID 145237875
(2S)-N-propan-2-yl-N'-prop-2-enylpyrrolidine-2-carboximidamide
CID 148104792
(2S)-N-[(Z)-2-aminoethenyl]-N,N'-dimethylpyrrolidine-2-carboximidamide
CID 156461331
2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine
CID 163548759
N,N'-dimethyl-N-[(Z)-2-(methylamino)ethenyl]pyrrolidine-2-carboximidamide
CID 163785999
(3Z)-4-[1-(2-methylpyrrolidin-1-yl)ethylideneamino]buta-1,3-dien-2-amine
CID 166484186

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide?
The IUPAC name of 1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide (CID 123950440) is 1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide?
The canonical SMILES for 1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide is CC=CN/C(=N\C)C1CCCN1C(C)CC.
What is the InChIKey of 1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide?
The InChIKey is YDDMZRUSQMPZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-9-15-13(14-4)12-8-7-10-16(12)11(3)6-2/h5,9,11-12H,6-8,10H2,1-4H3,(H,14,15).
What are the key properties of 1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide?
1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide has a molecular weight of 223.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide is sourced from PubChem (CID 123950440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).