N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine

C13H28N2 — CID 62277022

IUPACN-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine
SMILESCCNCC(C)(CC)CN1CCCC1C
InChIInChI=1S/C13H28N2/c1-5-13(4,10-14-6-2)11-15-9-7-8-12(15)3/h12,14H,5-11H2,1-4H3
InChIKeyWDSZQPXCQKFQSL-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

About N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine

N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine (PubChem CID 62277022) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine
PubChem CID62277022
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine
SMILESCCNCC(C)(CC)CN1CCCC1C
InChIInChI=1S/C13H28N2/c1-5-13(4,10-14-6-2)11-15-9-7-8-12(15)3/h12,14H,5-11H2,1-4H3
InChIKeyWDSZQPXCQKFQSL-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine (CID 62277022) is N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine is CCNCC(C)(CC)CN1CCCC1C.
What is the InChIKey of N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine?
The InChIKey is WDSZQPXCQKFQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(4,10-14-6-2)11-15-9-7-8-12(15)3/h12,14H,5-11H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine?
N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 62277022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).