N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine

C12H25N3 — CID 43121905

IUPACN-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine
SMILES[H]/N=C1\CCCN1CCN(C(C)C)C(C)C
InChIInChI=1S/C12H25N3/c1-10(2)15(11(3)4)9-8-14-7-5-6-12(14)13/h10-11,13H,5-9H2,1-4H3/b13-12+
InChIKeyODALCGPHJVVXJQ-OUKQBFOZSA-N
MW211.35 g/mol
LogP2.18
Rot. Bonds5

About N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine

N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 43121905) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID43121905
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine
SMILES[H]/N=C1\CCCN1CCN(C(C)C)C(C)C
InChIInChI=1S/C12H25N3/c1-10(2)15(11(3)4)9-8-14-7-5-6-12(14)13/h10-11,13H,5-9H2,1-4H3/b13-12+
InChIKeyODALCGPHJVVXJQ-OUKQBFOZSA-N
XLogP2.18
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine (CID 43121905) is N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine is [H]/N=C1\CCCN1CCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is ODALCGPHJVVXJQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H25N3/c1-10(2)15(11(3)4)9-8-14-7-5-6-12(14)13/h10-11,13H,5-9H2,1-4H3/b13-12+.
What are the key properties of N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 43121905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).