2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine

C12H23N3 — CID 78966816

IUPAC2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine
SMILESCc1[nH]ncc1CNCC(C)C(C)(C)C
InChIInChI=1S/C12H23N3/c1-9(12(3,4)5)6-13-7-11-8-14-15-10(11)2/h8-9,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyJCPHZSNIMLSTSA-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.49
Rot. Bonds4

About 2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine

2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine (PubChem CID 78966816) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine
PubChem CID78966816
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine
SMILESCc1[nH]ncc1CNCC(C)C(C)(C)C
InChIInChI=1S/C12H23N3/c1-9(12(3,4)5)6-13-7-11-8-14-15-10(11)2/h8-9,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyJCPHZSNIMLSTSA-UHFFFAOYSA-N
XLogP2.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 61004070
4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid
CID 122127632
2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 83142141
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 63226414
2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 119122377
tert-butyl N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245687
(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol
CID 93257822
4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine
CID 43663741
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxo-2-propan-2-ylbutanoic acid
CID 54896845
2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 78966606
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 86776389

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine (CID 78966816) is 2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine is Cc1[nH]ncc1CNCC(C)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine?
The InChIKey is JCPHZSNIMLSTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-9(12(3,4)5)6-13-7-11-8-14-15-10(11)2/h8-9,13H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine?
2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 78966816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).