2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine

C11H21N3 — CID 82878363

IUPAC2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
SMILESCn1ccc(CCCNC(C)(C)C)n1
InChIInChI=1S/C11H21N3/c1-11(2,3)12-8-5-6-10-7-9-14(4)13-10/h7,9,12H,5-6,8H2,1-4H3
InChIKeyQZPFBAXRGBBVOI-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.74
Rot. Bonds4

About 2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine

2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine (PubChem CID 82878363) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
PubChem CID82878363
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
SMILESCn1ccc(CCCNC(C)(C)C)n1
InChIInChI=1S/C11H21N3/c1-11(2,3)12-8-5-6-10-7-9-14(4)13-10/h7,9,12H,5-6,8H2,1-4H3
InChIKeyQZPFBAXRGBBVOI-UHFFFAOYSA-N
XLogP1.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877898
N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82870521
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 64777700
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82870837
2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid
CID 106104661
6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 106105393
N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054859
N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 104626500
2-methyl-N-(3-pyridin-2-ylpropyl)propan-2-amine
CID 62549888
(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]but-2-en-1-amine
CID 106104491
2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine
CID 82870865

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine (CID 82878363) is 2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine is Cn1ccc(CCCNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine?
The InChIKey is QZPFBAXRGBBVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,3)12-8-5-6-10-7-9-14(4)13-10/h7,9,12H,5-6,8H2,1-4H3.
What are the key properties of 2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine?
2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine is sourced from PubChem (CID 82878363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).