1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine

C11H23N3 — CID 81474414

IUPAC1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine
SMILES[H]/N=C(\CCC)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C11H23N3/c1-5-6-11(12)14-7-9(2)10(8-14)13(3)4/h9-10,12H,5-8H2,1-4H3/b12-11+
InChIKeyAUDXVOJGPHAJLW-VAWYXSNFSA-N
MW197.33 g/mol
LogP1.65
Rot. Bonds3

About 1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine

1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81474414) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81474414
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine
SMILES[H]/N=C(\CCC)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C11H23N3/c1-5-6-11(12)14-7-9(2)10(8-14)13(3)4/h9-10,12H,5-8H2,1-4H3/b12-11+
InChIKeyAUDXVOJGPHAJLW-VAWYXSNFSA-N
XLogP1.65
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of 1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine (CID 81474414) is 1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine is [H]/N=C(\CCC)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is AUDXVOJGPHAJLW-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H23N3/c1-5-6-11(12)14-7-9(2)10(8-14)13(3)4/h9-10,12H,5-8H2,1-4H3/b12-11+.
What are the key properties of 1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine?
1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 197.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81474414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).