[3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine

C11H24N2 — CID 102784417

IUPAC[3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine
SMILESCCC(C)CN1CCC(C)C1CN
InChIInChI=1S/C11H24N2/c1-4-9(2)8-13-6-5-10(3)11(13)7-12/h9-11H,4-8,12H2,1-3H3
InChIKeyKXHCUFMKGDEUAL-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.70
Rot. Bonds4

About [3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine

[3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine (PubChem CID 102784417) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is [3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine
PubChem CID102784417
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name[3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine
SMILESCCC(C)CN1CCC(C)C1CN
InChIInChI=1S/C11H24N2/c1-4-9(2)8-13-6-5-10(3)11(13)7-12/h9-11H,4-8,12H2,1-3H3
InChIKeyKXHCUFMKGDEUAL-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine (CID 102784417) is [3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine is CCC(C)CN1CCC(C)C1CN.
What is the InChIKey of [3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine?
The InChIKey is KXHCUFMKGDEUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-9(2)8-13-6-5-10(3)11(13)7-12/h9-11H,4-8,12H2,1-3H3.
What are the key properties of [3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine?
[3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine has a molecular weight of 184.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 102784417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).