N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine

C16H27N3 — CID 65194729

IUPACN-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESCCC(C)n1ccc(CC2(CNC3CC3)CCC2)n1
InChIInChI=1S/C16H27N3/c1-3-13(2)19-10-7-15(18-19)11-16(8-4-9-16)12-17-14-5-6-14/h7,10,13-14,17H,3-6,8-9,11-12H2,1-2H3
InChIKeyRJVCPPYLIZTEHQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.32
Rot. Bonds7

About N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine

N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine (PubChem CID 65194729) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
PubChem CID65194729
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESCCC(C)n1ccc(CC2(CNC3CC3)CCC2)n1
InChIInChI=1S/C16H27N3/c1-3-13(2)19-10-7-15(18-19)11-16(8-4-9-16)12-17-14-5-6-14/h7,10,13-14,17H,3-6,8-9,11-12H2,1-2H3
InChIKeyRJVCPPYLIZTEHQ-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194434
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
CID 64778489
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66025131
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65425655
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863680
4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79116958
[1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol
CID 115454619
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
CID 64801541
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 64785329
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol
CID 116539988
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
CID 81385024
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopropylazepane
CID 79118218

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine (CID 65194729) is N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine is CCC(C)n1ccc(CC2(CNC3CC3)CCC2)n1.
What is the InChIKey of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine?
The InChIKey is RJVCPPYLIZTEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-13(2)19-10-7-15(18-19)11-16(8-4-9-16)12-17-14-5-6-14/h7,10,13-14,17H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine?
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 65194729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).