3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine

C13H25N3 — CID 99824923

IUPAC3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine
SMILESCc1cc(C[C@@H](C)NCCC(C)(C)C)n[nH]1
InChIInChI=1S/C13H25N3/c1-10(14-7-6-13(3,4)5)8-12-9-11(2)15-16-12/h9-10,14H,6-8H2,1-5H3,(H,15,16)/t10-/m1/s1
InChIKeyPEDKFMZQBKCURI-SNVBAGLBSA-N
MW223.36 g/mol
LogP2.67
Rot. Bonds5

About 3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine

3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine (PubChem CID 99824923) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine
PubChem CID99824923
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine
SMILESCc1cc(C[C@@H](C)NCCC(C)(C)C)n[nH]1
InChIInChI=1S/C13H25N3/c1-10(14-7-6-13(3,4)5)8-12-9-11(2)15-16-12/h9-10,14H,6-8H2,1-5H3,(H,15,16)/t10-/m1/s1
InChIKeyPEDKFMZQBKCURI-SNVBAGLBSA-N
XLogP2.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine with MolForge

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Related Compounds

5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine
CID 133378217
(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 1419095
1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride
CID 170893704
(2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine
CID 104867583
N-[1-(1-methylcyclopropyl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 115894801
3,3-dimethyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 115970785
[2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol
CID 138050417
5-ethyl-2-methyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
CID 95131902
2-methyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 95148304
5-ethyl-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
CID 50970028
4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133378151
4-N,4-N,5-trimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidine-2,4-diamine
CID 50951650

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine (CID 99824923) is 3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine is Cc1cc(C[C@@H](C)NCCC(C)(C)C)n[nH]1.
What is the InChIKey of 3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine?
The InChIKey is PEDKFMZQBKCURI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(14-7-6-13(3,4)5)8-12-9-11(2)15-16-12/h9-10,14H,6-8H2,1-5H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine?
3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine is sourced from PubChem (CID 99824923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).