N,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine

C12H25N3 — CID 63181322

IUPACN,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine
SMILES[H]/N=C(\C(C)C)N1CCC(N(CC)CC)C1
InChIInChI=1S/C12H25N3/c1-5-14(6-2)11-7-8-15(9-11)12(13)10(3)4/h10-11,13H,5-9H2,1-4H3/b13-12+
InChIKeyHWMAYIPZAAXMRJ-OUKQBFOZSA-N
MW211.35 g/mol
LogP2.04
Rot. Bonds4

About N,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine

N,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine (PubChem CID 63181322) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine
PubChem CID63181322
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine
SMILES[H]/N=C(\C(C)C)N1CCC(N(CC)CC)C1
InChIInChI=1S/C12H25N3/c1-5-14(6-2)11-7-8-15(9-11)12(13)10(3)4/h10-11,13H,5-9H2,1-4H3/b13-12+
InChIKeyHWMAYIPZAAXMRJ-OUKQBFOZSA-N
XLogP2.04
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.04
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 N,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine (CID 63181322) is N,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine is [H]/N=C(\C(C)C)N1CCC(N(CC)CC)C1.
What is the InChIKey of N,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine?
The InChIKey is HWMAYIPZAAXMRJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-14(6-2)11-7-8-15(9-11)12(13)10(3)4/h10-11,13H,5-9H2,1-4H3/b13-12+.
What are the key properties of N,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine?
N,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine has a molecular weight of 211.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine is sourced from PubChem (CID 63181322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).