1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine

C13H28N2 — CID 103461871

IUPAC1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(CC(C)(C)CC)C1
InChIInChI=1S/C13H28N2/c1-5-8-14-12-7-9-15(10-12)11-13(3,4)6-2/h12,14H,5-11H2,1-4H3
InChIKeyNLJJOUVXRNNTCP-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

About 1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine

1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine (PubChem CID 103461871) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine
PubChem CID103461871
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(CC(C)(C)CC)C1
InChIInChI=1S/C13H28N2/c1-5-8-14-12-7-9-15(10-12)11-13(3,4)6-2/h12,14H,5-11H2,1-4H3
InChIKeyNLJJOUVXRNNTCP-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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Related Compounds

2-[3-(Aminomethyl)-1-pyrrolidinyl]-N,N-dimethylethanamine
CID 24696719
(1-(Butan-2-yl)pyrrolidin-3-yl)methanamine
CID 17389968
3-(Dimethylamino)pyrrolidine
CID 2758519
3-(Diethylamino)pyrrolidine
CID 19961995
[(2S)-2-amino-3,3-dimethylbutyl]dimethylamine
CID 30428933
4-Methyl-1-(propan-2-yl)pyrrolidin-3-amine
CID 58030188
(1-(Propan-2-yl)pyrrolidin-3-yl)methanamine
CID 21978903
3-Methyl-2-(pyrrolidin-1-yl)butan-1-amine
CID 43176112
N,1-dimethylpyrrolidin-3-amine
CID 2758520
(3R)-(+)-3-(Dimethylamino)pyrrolidine
CID 2758521
1-(Pyrrolidin-1-yl)butan-2-amine
CID 6484668
(3S)-(-)-3-(Dimethylamino)pyrrolidine
CID 7019156

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine (CID 103461871) is 1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine is CCCNC1CCN(CC(C)(C)CC)C1.
What is the InChIKey of 1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine?
The InChIKey is NLJJOUVXRNNTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-8-14-12-7-9-15(10-12)11-13(3,4)6-2/h12,14H,5-11H2,1-4H3.
What are the key properties of 1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine?
1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-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 1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 103461871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).