N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C14H26N4 — CID 106602715

IUPACN-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)N(C)CC1CCCN1
InChIInChI=1S/C14H26N4/c1-10-14(12(3)18(5)16-10)11(2)17(4)9-13-7-6-8-15-13/h11,13,15H,6-9H2,1-5H3
InChIKeyNJJYGGCGKIVROB-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.78
Rot. Bonds4

About N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 106602715) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID106602715
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)N(C)CC1CCCN1
InChIInChI=1S/C14H26N4/c1-10-14(12(3)18(5)16-10)11(2)17(4)9-13-7-6-8-15-13/h11,13,15H,6-9H2,1-5H3
InChIKeyNJJYGGCGKIVROB-UHFFFAOYSA-N
XLogP1.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 106623523
N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602551
N-methyl-1-(3-methylpyrazin-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 114080441
N,1,3,5-tetramethyl-N-(piperidin-2-ylmethyl)pyrazole-4-sulfonamide
CID 106630407
N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine
CID 106625018
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622843
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 177210581
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
1-(4-chlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 62980654
1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602368
(1S)-N-methyl-1-pyrazin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 129426014
N-ethyl-1,3,5-trimethyl-N-(piperidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106626233

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 106602715) is N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1C(C)N(C)CC1CCCN1.
What is the InChIKey of N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is NJJYGGCGKIVROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-10-14(12(3)18(5)16-10)11(2)17(4)9-13-7-6-8-15-13/h11,13,15H,6-9H2,1-5H3.
What are the key properties of N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 106602715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).