3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine

C13H28N2 — CID 66452601

IUPAC3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine
SMILESCC(C)C1CCCN1CC(C)(C)C(C)N
InChIInChI=1S/C13H28N2/c1-10(2)12-7-6-8-15(12)9-13(4,5)11(3)14/h10-12H,6-9,14H2,1-5H3
InChIKeyAMJFTLLEZFYTJY-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds4

About 3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine

3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine (PubChem CID 66452601) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine
PubChem CID66452601
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine
SMILESCC(C)C1CCCN1CC(C)(C)C(C)N
InChIInChI=1S/C13H28N2/c1-10(2)12-7-6-8-15(12)9-13(4,5)11(3)14/h10-12H,6-9,14H2,1-5H3
InChIKeyAMJFTLLEZFYTJY-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 66452820
1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847
2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol
CID 66454911
methyl 2,2-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)propanoate
CID 79621399
3,3-dimethyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-2-amine
CID 79945732
(2S)-2-propan-2-yl-1-propylpyrrolidine
CID 59252927
4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine
CID 126980720
3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine
CID 66452958
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
1-(1-ethylpyrrolidin-2-yl)ethanamine
CID 18672993
2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 59252931

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine (CID 66452601) is 3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine is CC(C)C1CCCN1CC(C)(C)C(C)N.
What is the InChIKey of 3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine?
The InChIKey is AMJFTLLEZFYTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)12-7-6-8-15(12)9-13(4,5)11(3)14/h10-12H,6-9,14H2,1-5H3.
What are the key properties of 3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine?
3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine is sourced from PubChem (CID 66452601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).