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

C12H23N3O — CID 103010409

IUPAC6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
SMILESCNC(CCCOC)CCc1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-13-12(5-4-8-16-3)7-6-11-9-14-15(2)10-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyHRQUGDORXDQSGP-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.37
Rot. Bonds8

About 6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine

6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine (PubChem CID 103010409) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
PubChem CID103010409
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
SMILESCNC(CCCOC)CCc1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-13-12(5-4-8-16-3)7-6-11-9-14-15(2)10-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyHRQUGDORXDQSGP-UHFFFAOYSA-N
XLogP1.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine
CID 103029700
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103030182
6-methoxy-N-methyl-1-phenylhexan-3-amine
CID 62602732
5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 65091906
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
4-(3-chloro-4-methoxybutyl)-1-methylpyrazole
CID 62320381
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012254
1-(1-methylpyrazol-4-yl)undecan-3-ylhydrazine
CID 103025813
N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009789
N,3-dimethyl-5-(1-methylpyrazol-4-yl)pentan-1-amine
CID 103019750

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
The IUPAC name of 6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine (CID 103010409) is 6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine.
What is the SMILES notation for 6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
The canonical SMILES for 6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine is CNC(CCCOC)CCc1cnn(C)c1.
What is the InChIKey of 6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
The InChIKey is HRQUGDORXDQSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-13-12(5-4-8-16-3)7-6-11-9-14-15(2)10-11/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine has a molecular weight of 225.34 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine is sourced from PubChem (CID 103010409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).