2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C15H27N3 — CID 83160355

IUPAC2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCC(C)CNCC(C)(Cc1cnn(C)c1)C1CC1
InChIInChI=1S/C15H27N3/c1-12(2)8-16-11-15(3,14-5-6-14)7-13-9-17-18(4)10-13/h9-10,12,14,16H,5-8,11H2,1-4H3
InChIKeyIZFYQRAOWMMJFE-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.62
Rot. Bonds7

About 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 83160355) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID83160355
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCC(C)CNCC(C)(Cc1cnn(C)c1)C1CC1
InChIInChI=1S/C15H27N3/c1-12(2)8-16-11-15(3,14-5-6-14)7-13-9-17-18(4)10-13/h9-10,12,14,16H,5-8,11H2,1-4H3
InChIKeyIZFYQRAOWMMJFE-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 83159454
3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159897
2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103017836
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine
CID 83150659
2-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]but-3-en-1-amine
CID 103014875
2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159628
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62516241
1-(cyclopropylamino)-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038933
3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 103014335
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 62461742
3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159985
2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053542

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 83160355) is 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is CC(C)CNCC(C)(Cc1cnn(C)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is IZFYQRAOWMMJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)8-16-11-15(3,14-5-6-14)7-13-9-17-18(4)10-13/h9-10,12,14,16H,5-8,11H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 83160355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).