4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine

C12H23N3O — CID 61350220

IUPAC4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-10(6-12(2,3)16-5)13-7-11-8-14-15(4)9-11/h8-10,13H,6-7H2,1-5H3
InChIKeyXWKDZFHCHMXHEI-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.71
Rot. Bonds6

About 4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine

4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine (PubChem CID 61350220) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine
PubChem CID61350220
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-10(6-12(2,3)16-5)13-7-11-8-14-15(4)9-11/h8-10,13H,6-7H2,1-5H3
InChIKeyXWKDZFHCHMXHEI-UHFFFAOYSA-N
XLogP1.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine
CID 93104190
4-chloro-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 83187892
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 103271036
1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 61350604
4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol
CID 78943311
N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 122157851
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
CID 111118581
4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 115710852
1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine
CID 43180284
2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349842
2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid
CID 65289043

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine (CID 61350220) is 4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine is COC(C)(C)CC(C)NCc1cnn(C)c1.
What is the InChIKey of 4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine?
The InChIKey is XWKDZFHCHMXHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(6-12(2,3)16-5)13-7-11-8-14-15(4)9-11/h8-10,13H,6-7H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine?
4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine is sourced from PubChem (CID 61350220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).