2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine

C12H26N2 — CID 64599570

IUPAC2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine
SMILESCC(C)C(C)CNCC1(C)CCCN1
InChIInChI=1S/C12H26N2/c1-10(2)11(3)8-13-9-12(4)6-5-7-14-12/h10-11,13-14H,5-9H2,1-4H3
InChIKeyUTPZFLICWVKRIQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.01
Rot. Bonds5

About 2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine

2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine (PubChem CID 64599570) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine
PubChem CID64599570
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine
SMILESCC(C)C(C)CNCC1(C)CCCN1
InChIInChI=1S/C12H26N2/c1-10(2)11(3)8-13-9-12(4)6-5-7-14-12/h10-11,13-14H,5-9H2,1-4H3
InChIKeyUTPZFLICWVKRIQ-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine (CID 64599570) is 2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine is CC(C)C(C)CNCC1(C)CCCN1.
What is the InChIKey of 2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine?
The InChIKey is UTPZFLICWVKRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)11(3)8-13-9-12(4)6-5-7-14-12/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine?
2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 64599570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).