2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine

C13H28N2 — CID 79188396

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine
SMILESCC1CN(C(CN)CC(C)(C)C)CC1C
InChIInChI=1S/C13H28N2/c1-10-8-15(9-11(10)2)12(7-14)6-13(3,4)5/h10-12H,6-9,14H2,1-5H3
InChIKeyBMSPBBAYUTUVJJ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.34
Rot. Bonds3

About 2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine

2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine (PubChem CID 79188396) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine
PubChem CID79188396
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine
SMILESCC1CN(C(CN)CC(C)(C)C)CC1C
InChIInChI=1S/C13H28N2/c1-10-8-15(9-11(10)2)12(7-14)6-13(3,4)5/h10-12H,6-9,14H2,1-5H3
InChIKeyBMSPBBAYUTUVJJ-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine (CID 79188396) is 2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine is CC1CN(C(CN)CC(C)(C)C)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine?
The InChIKey is BMSPBBAYUTUVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10-8-15(9-11(10)2)12(7-14)6-13(3,4)5/h10-12H,6-9,14H2,1-5H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine?
2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 79188396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).