3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine

C13H28N2 — CID 115709196

IUPAC3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine
SMILESCCC(CNC(C)C(C)C)N1CCCC1
InChIInChI=1S/C13H28N2/c1-5-13(15-8-6-7-9-15)10-14-12(4)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyKNQFRXPGOHHOLR-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds6

About 3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine

3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine (PubChem CID 115709196) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine
PubChem CID115709196
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine
SMILESCCC(CNC(C)C(C)C)N1CCCC1
InChIInChI=1S/C13H28N2/c1-5-13(15-8-6-7-9-15)10-14-12(4)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyKNQFRXPGOHHOLR-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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
(S)-N-Ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 7141622
2-(Pyrrolidin-1-yl)propan-1-amine
CID 11051670
3-(Diethylamino)pyrrolidine
CID 19961995
4-Methyl-1-(propan-2-yl)pyrrolidin-3-amine
CID 58030188
1-(Cyclopropylmethyl)pyrrolidin-3-amine
CID 16244565
(1-(Propan-2-yl)pyrrolidin-3-yl)methanamine
CID 21978903
(1-Tert-butylpyrrolidin-3-yl)methanamine
CID 24275282
N,N'-Bis(3-methyl-2-butyl)-ethylenediamine
CID 469904
3-Methyl-2-(pyrrolidin-1-yl)butan-1-amine
CID 43176112
1-(Pyrrolidin-1-yl)butan-2-amine
CID 6484668

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine?
The IUPAC name of 3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine (CID 115709196) is 3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine.
What is the SMILES notation for 3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine?
The canonical SMILES for 3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine is CCC(CNC(C)C(C)C)N1CCCC1.
What is the InChIKey of 3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine?
The InChIKey is KNQFRXPGOHHOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(15-8-6-7-9-15)10-14-12(4)11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine?
3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine is sourced from PubChem (CID 115709196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).