N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine

C15H28N4 — CID 75441559

IUPACN-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCC(C)CN1CCC[C@H]1CNC(C)c1cnn(C)c1
InChIInChI=1S/C15H28N4/c1-12(2)10-19-7-5-6-15(19)9-16-13(3)14-8-17-18(4)11-14/h8,11-13,15-16H,5-7,9-10H2,1-4H3/t13?,15-/m0/s1
InChIKeyNHIMBZQVFYHSHZ-WUJWULDRSA-N
MW264.42 g/mol
LogP2.19
Rot. Bonds6

About N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine

N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 75441559) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID75441559
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCC(C)CN1CCC[C@H]1CNC(C)c1cnn(C)c1
InChIInChI=1S/C15H28N4/c1-12(2)10-19-7-5-6-15(19)9-16-13(3)14-8-17-18(4)11-14/h8,11-13,15-16H,5-7,9-10H2,1-4H3/t13?,15-/m0/s1
InChIKeyNHIMBZQVFYHSHZ-WUJWULDRSA-N
XLogP2.19
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
2-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64927227
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 103904920
4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532822
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
(2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 111507028
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
(2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 97080755
(2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine
CID 165411366
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]cyclopentanamine
CID 103852150
1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80583918
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 62693064

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine (CID 75441559) is N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine is CC(C)CN1CCC[C@H]1CNC(C)c1cnn(C)c1.
What is the InChIKey of N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is NHIMBZQVFYHSHZ-WUJWULDRSA-N. The full InChI is InChI=1S/C15H28N4/c1-12(2)10-19-7-5-6-15(19)9-16-13(3)14-8-17-18(4)11-14/h8,11-13,15-16H,5-7,9-10H2,1-4H3/t13?,15-/m0/s1.
What are the key properties of N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 264.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 75441559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).