2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide

C15H31N3O — CID 55168100

IUPAC2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
SMILESCNCC1CCN(CC(=O)NC(C)CCC(C)C)C1
InChIInChI=1S/C15H31N3O/c1-12(2)5-6-13(3)17-15(19)11-18-8-7-14(10-18)9-16-4/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyNNMNTHQZVBMIKA-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.47
Rot. Bonds8

About 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide

2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide (PubChem CID 55168100) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
PubChem CID55168100
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
SMILESCNCC1CCN(CC(=O)NC(C)CCC(C)C)C1
InChIInChI=1S/C15H31N3O/c1-12(2)5-6-13(3)17-15(19)11-18-8-7-14(10-18)9-16-4/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyNNMNTHQZVBMIKA-UHFFFAOYSA-N
XLogP1.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 63248800
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 55030660
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 63267514
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63248872
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide
CID 81491039
N-[1-(furan-2-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 55168863
N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119922204
2-(4-aminopiperidin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 43556882
N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63849022
N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 63264164
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 115969322
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63267736

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide (CID 55168100) is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide is CNCC1CCN(CC(=O)NC(C)CCC(C)C)C1.
What is the InChIKey of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is NNMNTHQZVBMIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)5-6-13(3)17-15(19)11-18-8-7-14(10-18)9-16-4/h12-14,16H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide?
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide has a molecular weight of 269.43 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 55168100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).