N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine

C14H25N3 — CID 103741109

IUPACN-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(CNCC2(CC)CCC2)cn1
InChIInChI=1S/C14H25N3/c1-3-8-17-11-13(10-16-17)9-15-12-14(4-2)6-5-7-14/h10-11,15H,3-9,12H2,1-2H3
InChIKeyQWTSUKKHLOJDGT-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.96
Rot. Bonds7

About N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine

N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine (PubChem CID 103741109) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
PubChem CID103741109
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(CNCC2(CC)CCC2)cn1
InChIInChI=1S/C14H25N3/c1-3-8-17-11-13(10-16-17)9-15-12-14(4-2)6-5-7-14/h10-11,15H,3-9,12H2,1-2H3
InChIKeyQWTSUKKHLOJDGT-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 103766160
N-[(1-ethylcyclopentyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103766176
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 113359893
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 103848292
[1-[[(1-ethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479607
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65194929
1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753080
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65195044
N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine
CID 131921128
2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115656313

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine (CID 103741109) is N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(CNCC2(CC)CCC2)cn1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is QWTSUKKHLOJDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-8-17-11-13(10-16-17)9-15-12-14(4-2)6-5-7-14/h10-11,15H,3-9,12H2,1-2H3.
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine?
N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 235.37 g/mol, XLogP of 2.96, 7 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-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 103741109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).