N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine

C11H21N3O — CID 114556013

IUPACN-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1CNOCC(C)C
InChIInChI=1S/C11H21N3O/c1-4-7-14-11(5-6-12-14)8-13-15-9-10(2)3/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyNMRDQDGEMIIZDR-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.97
Rot. Bonds7

About N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine

N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine (PubChem CID 114556013) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine
PubChem CID114556013
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1CNOCC(C)C
InChIInChI=1S/C11H21N3O/c1-4-7-14-11(5-6-12-14)8-13-15-9-10(2)3/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyNMRDQDGEMIIZDR-UHFFFAOYSA-N
XLogP1.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 114555624
(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555867
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555894
2-cyclopropyl-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 114556145
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106348790
4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 114151438

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine (CID 114556013) is N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1CNOCC(C)C.
What is the InChIKey of N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is NMRDQDGEMIIZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-7-14-11(5-6-12-14)8-13-15-9-10(2)3/h5-6,10,13H,4,7-9H2,1-3H3.
What are the key properties of N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine?
N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 211.31 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 114556013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).