N-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine

C12H24N2 — CID 138655215

IUPACN-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine
SMILESCC(C)=C(NC1CCN(C)C1)C(C)C
InChIInChI=1S/C12H24N2/c1-9(2)12(10(3)4)13-11-6-7-14(5)8-11/h9,11,13H,6-8H2,1-5H3
InChIKeyGTUJBUOIRUIYMS-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.23
Rot. Bonds3

About N-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine

N-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine (PubChem CID 138655215) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine
PubChem CID138655215
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine
SMILESCC(C)=C(NC1CCN(C)C1)C(C)C
InChIInChI=1S/C12H24N2/c1-9(2)12(10(3)4)13-11-6-7-14(5)8-11/h9,11,13H,6-8H2,1-5H3
InChIKeyGTUJBUOIRUIYMS-UHFFFAOYSA-N
XLogP2.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine (CID 138655215) is N-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine is CC(C)=C(NC1CCN(C)C1)C(C)C.
What is the InChIKey of N-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine?
The InChIKey is GTUJBUOIRUIYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-9(2)12(10(3)4)13-11-6-7-14(5)8-11/h9,11,13H,6-8H2,1-5H3.
What are the key properties of N-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine?
N-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine has a molecular weight of 196.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 138655215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).