1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine

C12H23N3 — CID 170576846

IUPAC1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine
SMILESC=C(C)/C(=N\C)N1CCC(NC(C)C)C1
InChIInChI=1S/C12H23N3/c1-9(2)12(13-5)15-7-6-11(8-15)14-10(3)4/h10-11,14H,1,6-8H2,2-5H3/b13-12+
InChIKeyAGBSEIDUDCPKSZ-OUKQBFOZSA-N
MW209.34 g/mol
LogP1.66
Rot. Bonds3

About 1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine

1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 170576846) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine
PubChem CID170576846
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine
SMILESC=C(C)/C(=N\C)N1CCC(NC(C)C)C1
InChIInChI=1S/C12H23N3/c1-9(2)12(13-5)15-7-6-11(8-15)14-10(3)4/h10-11,14H,1,6-8H2,2-5H3/b13-12+
InChIKeyAGBSEIDUDCPKSZ-OUKQBFOZSA-N
XLogP1.66
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.66
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

N-[(E)-2-[(3-aminopyrrolidin-1-yl)methyl]but-1-enyl]-N'-methylethanimidamide
CID 70877797
2-methyl-N,N'-di(propan-2-yl)prop-2-enimidamide
CID 88832844
1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine
CID 123237192
1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine
CID 123505707
1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine
CID 123596120
1-(1,5-Dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine
CID 123879082
acetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide
CID 143551777
N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide
CID 143551778

Frequently Asked Questions

What is the IUPAC name of 1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine (CID 170576846) is 1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine is C=C(C)/C(=N\C)N1CCC(NC(C)C)C1.
What is the InChIKey of 1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is AGBSEIDUDCPKSZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H23N3/c1-9(2)12(13-5)15-7-6-11(8-15)14-10(3)4/h10-11,14H,1,6-8H2,2-5H3/b13-12+.
What are the key properties of 1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine?
1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 209.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 170576846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).