1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine

C10H19N3 — CID 123505707

IUPAC1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine
SMILESCC=C(C)/C(=N\C)N1CCC(N)C1
InChIInChI=1S/C10H19N3/c1-4-8(2)10(12-3)13-6-5-9(11)7-13/h4,9H,5-7,11H2,1-3H3/b8-4?,12-10+
InChIKeyYZIATGHNBXZLSO-MJJPSXCHSA-N
MW181.28 g/mol
LogP1.01
Rot. Bonds1

About 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine

1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine (PubChem CID 123505707) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine
PubChem CID123505707
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine
SMILESCC=C(C)/C(=N\C)N1CCC(N)C1
InChIInChI=1S/C10H19N3/c1-4-8(2)10(12-3)13-6-5-9(11)7-13/h4,9H,5-7,11H2,1-3H3/b8-4?,12-10+
InChIKeyYZIATGHNBXZLSO-MJJPSXCHSA-N
XLogP1.01
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.01
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

1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine
CID 123237192
1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine
CID 123550690
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
1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine
CID 170576846
N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide
CID 143551778

Frequently Asked Questions

What is the IUPAC name of 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine?
The IUPAC name of 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine (CID 123505707) is 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine is CC=C(C)/C(=N\C)N1CCC(N)C1.
What is the InChIKey of 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine?
The InChIKey is YZIATGHNBXZLSO-MJJPSXCHSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-8(2)10(12-3)13-6-5-9(11)7-13/h4,9H,5-7,11H2,1-3H3/b8-4?,12-10+.
What are the key properties of 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine?
1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine is sourced from PubChem (CID 123505707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).