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

C14H30N2 — CID 115709194

IUPAC3-methyl-N-(2-pyrrolidin-1-ylbutyl)pentan-2-amine
SMILESCCC(C)C(C)NCC(CC)N1CCCC1
InChIInChI=1S/C14H30N2/c1-5-12(3)13(4)15-11-14(6-2)16-9-7-8-10-16/h12-15H,5-11H2,1-4H3
InChIKeyOMVKNTHRKKZECO-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds7

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

3-methyl-N-(2-pyrrolidin-1-ylbutyl)pentan-2-amine (PubChem CID 115709194) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-methyl-N-(2-pyrrolidin-1-ylbutyl)pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(2-pyrrolidin-1-ylbutyl)pentan-2-amine
PubChem CID115709194
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-methyl-N-(2-pyrrolidin-1-ylbutyl)pentan-2-amine
SMILESCCC(C)C(C)NCC(CC)N1CCCC1
InChIInChI=1S/C14H30N2/c1-5-12(3)13(4)15-11-14(6-2)16-9-7-8-10-16/h12-15H,5-11H2,1-4H3
InChIKeyOMVKNTHRKKZECO-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
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
3-(Diethylamino)pyrrolidine
CID 19961995
4-Methyl-1-(propan-2-yl)pyrrolidin-3-amine
CID 58030188
(1-(Propan-2-yl)pyrrolidin-3-yl)methanamine
CID 21978903
(1-Amino-3-ethylpentan-2-yl)dimethylamine
CID 42933682
3-Methyl-2-(pyrrolidin-1-yl)butan-1-amine
CID 43176112
1-(Pyrrolidin-1-yl)butan-2-amine
CID 6484668
N-Ethyl-N-[(2R)-2-pyrrolidinylmethyl]ethanamine
CID 7141624
(S)-(1-propylpyrrolidin-2-yl)methanamine
CID 12829005
[(2S)-1-butylpyrrolidin-2-yl]methanamine
CID 12829008

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyrrolidin-1-ylbutyl)pentan-2-amine?
The IUPAC name of 3-methyl-N-(2-pyrrolidin-1-ylbutyl)pentan-2-amine (CID 115709194) is 3-methyl-N-(2-pyrrolidin-1-ylbutyl)pentan-2-amine.
What is the SMILES notation for 3-methyl-N-(2-pyrrolidin-1-ylbutyl)pentan-2-amine?
The canonical SMILES for 3-methyl-N-(2-pyrrolidin-1-ylbutyl)pentan-2-amine is CCC(C)C(C)NCC(CC)N1CCCC1.
What is the InChIKey of 3-methyl-N-(2-pyrrolidin-1-ylbutyl)pentan-2-amine?
The InChIKey is OMVKNTHRKKZECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-12(3)13(4)15-11-14(6-2)16-9-7-8-10-16/h12-15H,5-11H2,1-4H3.
What are the key properties of 3-methyl-N-(2-pyrrolidin-1-ylbutyl)pentan-2-amine?
3-methyl-N-(2-pyrrolidin-1-ylbutyl)pentan-2-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 7 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)pentan-2-amine is sourced from PubChem (CID 115709194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).