N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine

C13H25N3O — CID 103029700

IUPACN-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine
SMILESCCCOCCC(CCc1cnn(C)c1)NC
InChIInChI=1S/C13H25N3O/c1-4-8-17-9-7-13(14-2)6-5-12-10-15-16(3)11-12/h10-11,13-14H,4-9H2,1-3H3
InChIKeyKTBUALJYBGXWPH-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.76
Rot. Bonds9

About N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine

N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine (PubChem CID 103029700) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine
PubChem CID103029700
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine
SMILESCCCOCCC(CCc1cnn(C)c1)NC
InChIInChI=1S/C13H25N3O/c1-4-8-17-9-7-13(14-2)6-5-12-10-15-16(3)11-12/h10-11,13-14H,4-9H2,1-3H3
InChIKeyKTBUALJYBGXWPH-UHFFFAOYSA-N
XLogP1.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.76
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

6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103010409
4-(1-methylpyrazol-4-yl)-1-propoxy-N-propylbutan-2-amine
CID 103009702
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
1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine
CID 105113884
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012254
1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-one
CID 103024051
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
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-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine (CID 103029700) is N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine is CCCOCCC(CCc1cnn(C)c1)NC.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine?
The InChIKey is KTBUALJYBGXWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-8-17-9-7-13(14-2)6-5-12-10-15-16(3)11-12/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine?
N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine has a molecular weight of 239.36 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine is sourced from PubChem (CID 103029700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).