2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine

C13H28N2 — CID 115724992

IUPAC2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine
SMILESCCC(NCCN1CCCC1C)C(C)C
InChIInChI=1S/C13H28N2/c1-5-13(11(2)3)14-8-10-15-9-6-7-12(15)4/h11-14H,5-10H2,1-4H3
InChIKeyMZEHLIKKBRUJBY-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds6

About 2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine

2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine (PubChem CID 115724992) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine
PubChem CID115724992
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine
SMILESCCC(NCCN1CCCC1C)C(C)C
InChIInChI=1S/C13H28N2/c1-5-13(11(2)3)14-8-10-15-9-6-7-12(15)4/h11-14H,5-10H2,1-4H3
InChIKeyMZEHLIKKBRUJBY-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

3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine
CID 62573692
N-[2-(2-methylpiperidin-1-yl)ethyl]pentan-3-amine
CID 62575153
(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine
CID 93283182
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62575881
N-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine
CID 104581801
N-(cyclopropylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 60973348
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
6-(2-methylpiperidin-1-yl)-N-propylhexan-3-amine
CID 106799179
N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride
CID 130686018
2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile
CID 63028079
1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide
CID 77189705
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine?
The IUPAC name of 2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine (CID 115724992) is 2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine is CCC(NCCN1CCCC1C)C(C)C.
What is the InChIKey of 2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine?
The InChIKey is MZEHLIKKBRUJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(11(2)3)14-8-10-15-9-6-7-12(15)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine?
2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-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 2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 115724992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).