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

C14H27N3 — CID 177247489

IUPACethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide
SMILESC=CN/C(C=C)=N/C1CCN(C(C)C)C1.CC
InChIInChI=1S/C12H21N3.C2H6/c1-5-12(13-6-2)14-11-7-8-15(9-11)10(3)4;1-2/h5-6,10-11H,1-2,7-9H2,3-4H3,(H,13,14);1-2H3
InChIKeyBXYCGLGEKGRBDA-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.81
Rot. Bonds4

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

ethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide (PubChem CID 177247489) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide.

Molecular Properties

Compound Nameethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide
PubChem CID177247489
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Nameethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide
SMILESC=CN/C(C=C)=N/C1CCN(C(C)C)C1.CC
InChIInChI=1S/C12H21N3.C2H6/c1-5-12(13-6-2)14-11-7-8-15(9-11)10(3)4;1-2/h5-6,10-11H,1-2,7-9H2,3-4H3,(H,13,14);1-2H3
InChIKeyBXYCGLGEKGRBDA-UHFFFAOYSA-N
XLogP2.81
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.81
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 ethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide?
The IUPAC name of ethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide (CID 177247489) is ethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide.
What is the SMILES notation for ethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide?
The canonical SMILES for ethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide is C=CN/C(C=C)=N/C1CCN(C(C)C)C1.CC.
What is the InChIKey of ethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide?
The InChIKey is BXYCGLGEKGRBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3.C2H6/c1-5-12(13-6-2)14-11-7-8-15(9-11)10(3)4;1-2/h5-6,10-11H,1-2,7-9H2,3-4H3,(H,13,14);1-2H3.
What are the key properties of ethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide?
ethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide has a molecular weight of 237.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide is sourced from PubChem (CID 177247489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).