4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine

C12H23N3O — CID 103012254

IUPAC4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
SMILESCCC(OC)C(CCc1cnn(C)c1)NC
InChIInChI=1S/C12H23N3O/c1-5-12(16-4)11(13-2)7-6-10-8-14-15(3)9-10/h8-9,11-13H,5-7H2,1-4H3
InChIKeySLMNOJFCJNCFGJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.37
Rot. Bonds7

About 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine

4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine (PubChem CID 103012254) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
PubChem CID103012254
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
SMILESCCC(OC)C(CCc1cnn(C)c1)NC
InChIInChI=1S/C12H23N3O/c1-5-12(16-4)11(13-2)7-6-10-8-14-15(3)9-10/h8-9,11-13H,5-7H2,1-4H3
InChIKeySLMNOJFCJNCFGJ-UHFFFAOYSA-N
XLogP1.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103010409
N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine
CID 103029700
2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 116715354
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine
CID 115821260
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048
1-(2-methoxy-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029786
N,3-dimethyl-5-(1-methylpyrazol-4-yl)pentan-1-amine
CID 103019750
4-(3-chloro-4-methoxybutyl)-1-methylpyrazole
CID 62320381

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
The IUPAC name of 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine (CID 103012254) is 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine.
What is the SMILES notation for 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
The canonical SMILES for 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine is CCC(OC)C(CCc1cnn(C)c1)NC.
What is the InChIKey of 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
The InChIKey is SLMNOJFCJNCFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-12(16-4)11(13-2)7-6-10-8-14-15(3)9-10/h8-9,11-13H,5-7H2,1-4H3.
What are the key properties of 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine has a molecular weight of 225.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine is sourced from PubChem (CID 103012254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).