1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine

C9H17N3 — CID 123237192

IUPAC1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine
SMILESCC=C/C(=N\C)N1CCC(N)C1
InChIInChI=1S/C9H17N3/c1-3-4-9(11-2)12-6-5-8(10)7-12/h3-4,8H,5-7,10H2,1-2H3/b4-3?,11-9+
InChIKeyGHTPGRIHNCCUGC-QYSCNRAJSA-N
MW167.26 g/mol
LogP0.62
Rot. Bonds1

About 1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine

1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine (PubChem CID 123237192) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine
PubChem CID123237192
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine
SMILESCC=C/C(=N\C)N1CCC(N)C1
InChIInChI=1S/C9H17N3/c1-3-4-9(11-2)12-6-5-8(10)7-12/h3-4,8H,5-7,10H2,1-2H3/b4-3?,11-9+
InChIKeyGHTPGRIHNCCUGC-QYSCNRAJSA-N
XLogP0.62
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.62
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

(2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide
CID 143883061
N-[1-(1-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]prop-2-en-1-amine
CID 68425661
1-(1-Prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine
CID 69238787
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
N-[2-[butyl(methyl)amino]ethyl]-N'-methylbut-2-enimidamide
CID 123616674
1-Ethyl-4-methyl-2-prop-1-enyl-4,5-dihydroimidazole
CID 123619895
N-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide
CID 123895418
1-But-2-enimidoylpyrrolidin-3-amine
CID 124001917
acetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide
CID 143551777
(2S)-N-propan-2-yl-N'-prop-2-enylpyrrolidine-2-carboximidamide
CID 148104792
1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine
CID 170576846

Frequently Asked Questions

What is the IUPAC name of 1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine?
The IUPAC name of 1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine (CID 123237192) is 1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine is CC=C/C(=N\C)N1CCC(N)C1.
What is the InChIKey of 1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine?
The InChIKey is GHTPGRIHNCCUGC-QYSCNRAJSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-4-9(11-2)12-6-5-8(10)7-12/h3-4,8H,5-7,10H2,1-2H3/b4-3?,11-9+.
What are the key properties of 1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine?
1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine has a molecular weight of 167.26 g/mol, XLogP of 0.62, 1 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-enylcarbonimidoyl)pyrrolidin-3-amine is sourced from PubChem (CID 123237192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).