N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide

C12H21N3 — CID 177247490

IUPACN-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide
SMILESC=CN/C(C=C)=N/C1CCN(C(C)C)C1
InChIInChI=1S/C12H21N3/c1-5-12(13-6-2)14-11-7-8-15(9-11)10(3)4/h5-6,10-11H,1-2,7-9H2,3-4H3,(H,13,14)
InChIKeyTXWQJTMQSSZTDC-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.79
Rot. Bonds4

About N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide

N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide (PubChem CID 177247490) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide
PubChem CID177247490
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide
SMILESC=CN/C(C=C)=N/C1CCN(C(C)C)C1
InChIInChI=1S/C12H21N3/c1-5-12(13-6-2)14-11-7-8-15(9-11)10(3)4/h5-6,10-11H,1-2,7-9H2,3-4H3,(H,13,14)
InChIKeyTXWQJTMQSSZTDC-UHFFFAOYSA-N
XLogP1.79
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.79
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'}

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Related Compounds

(E)-3-amino-N'-[(2S)-butan-2-yl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]prop-2-enimidamide
CID 89350974
1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine
CID 123237192
(2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine
CID 123909283
1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide
CID 123950440
(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256056
(3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256060
(3R)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256089
(3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256103
N-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide
CID 145237875
(3S)-1-[C-[(Z)-2-aminoethenyl]-N-[1-(cyclopropylmethylamino)ethenyl]carbonimidoyl]pyrrolidin-3-amine
CID 173483700
(3S)-1-[C-[(Z)-2-aminoethenyl]-N-[1-(2,2-dimethylpropylamino)ethenyl]carbonimidoyl]-N-methylpyrrolidin-3-amine
CID 173483704
(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
CID 174833381

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide?
The IUPAC name of N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide (CID 177247490) is N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide.
What is the SMILES notation for N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide?
The canonical SMILES for N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide is C=CN/C(C=C)=N/C1CCN(C(C)C)C1.
What is the InChIKey of N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide?
The InChIKey is TXWQJTMQSSZTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-12(13-6-2)14-11-7-8-15(9-11)10(3)4/h5-6,10-11H,1-2,7-9H2,3-4H3,(H,13,14).
What are the key properties of N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide?
N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide has a molecular weight of 207.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide is sourced from PubChem (CID 177247490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).