N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

C14H25N3 — CID 103741167

IUPACN-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCCC1(CNCc2c(C)nn(C)c2C)CCC1
InChIInChI=1S/C14H25N3/c1-5-14(7-6-8-14)10-15-9-13-11(2)16-17(4)12(13)3/h15H,5-10H2,1-4H3
InChIKeyUURPZQVSQDWIHL-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.71
Rot. Bonds5

About N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 103741167) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID103741167
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCCC1(CNCc2c(C)nn(C)c2C)CCC1
InChIInChI=1S/C14H25N3/c1-5-14(7-6-8-14)10-15-9-13-11(2)16-17(4)12(13)3/h15H,5-10H2,1-4H3
InChIKeyUURPZQVSQDWIHL-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358694
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 107267185
4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
CID 78928754
N-[[5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63217623
2-pyrrolidin-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 28654112
2-[1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750158
2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol
CID 109482206
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110007090
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]but-2-yn-1-amine
CID 79006322
2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 78958688
2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81165071

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 103741167) is N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is CCC1(CNCc2c(C)nn(C)c2C)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is UURPZQVSQDWIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-14(7-6-8-14)10-15-9-13-11(2)16-17(4)12(13)3/h15H,5-10H2,1-4H3.
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 235.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 103741167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).