N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine

C14H25N3O — CID 114104981

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1CNCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C14H25N3O/c1-11-13(5-6-18-11)9-15-7-12-8-16-17(10-12)14(2,3)4/h8,10-11,13,15H,5-7,9H2,1-4H3
InChIKeyIOALTKUMTPNPRQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.15
Rot. Bonds4

About N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine (PubChem CID 114104981) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine
PubChem CID114104981
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1CNCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C14H25N3O/c1-11-13(5-6-18-11)9-15-7-12-8-16-17(10-12)14(2,3)4/h8,10-11,13,15H,5-7,9H2,1-4H3
InChIKeyIOALTKUMTPNPRQ-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 114104938
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352384
1-(1-tert-butylpyrazol-4-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103702005
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95610747
2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol
CID 114104967
1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 114105058
N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64722566
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673286
N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696513
1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932481

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine (CID 114104981) is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine is CC1OCCC1CNCc1cnn(C(C)(C)C)c1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine?
The InChIKey is IOALTKUMTPNPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11-13(5-6-18-11)9-15-7-12-8-16-17(10-12)14(2,3)4/h8,10-11,13,15H,5-7,9H2,1-4H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine has a molecular weight of 251.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 114104981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).