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

C12H26N2 — CID 79183847

IUPAC4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine
SMILESCC1CN(CC(C)(C)C(C)N)CC1C
InChIInChI=1S/C12H26N2/c1-9-6-14(7-10(9)2)8-12(4,5)11(3)13/h9-11H,6-8,13H2,1-5H3
InChIKeyGEBZITFYGQUHHW-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.95
Rot. Bonds3

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

4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine (PubChem CID 79183847) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine
PubChem CID79183847
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine
SMILESCC1CN(CC(C)(C)C(C)N)CC1C
InChIInChI=1S/C12H26N2/c1-9-6-14(7-10(9)2)8-12(4,5)11(3)13/h9-11H,6-8,13H2,1-5H3
InChIKeyGEBZITFYGQUHHW-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine
CID 126980720
3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine
CID 66452958
1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol
CID 131026005
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454924
1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine
CID 66452822
3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 66453018
3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
CID 79631732
3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
CID 115277765
2-amino-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropanamide
CID 79184576
3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropanal
CID 79183438
4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol
CID 66452172
4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol
CID 66454350

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of 4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine (CID 79183847) is 4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine is CC1CN(CC(C)(C)C(C)N)CC1C.
What is the InChIKey of 4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is GEBZITFYGQUHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-9-6-14(7-10(9)2)8-12(4,5)11(3)13/h9-11H,6-8,13H2,1-5H3.
What are the key properties of 4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine?
4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 79183847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).