N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine

C12H23N3 — CID 115808764

IUPACN-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCCNC(c1cnn(C)c1)C(C)(C)CC
InChIInChI=1S/C12H23N3/c1-6-12(3,4)11(13-7-2)10-8-14-15(5)9-10/h8-9,11,13H,6-7H2,1-5H3
InChIKeyOXZRSPXCTCWKDL-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.51
Rot. Bonds5

About N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine

N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine (PubChem CID 115808764) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
PubChem CID115808764
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCCNC(c1cnn(C)c1)C(C)(C)CC
InChIInChI=1S/C12H23N3/c1-6-12(3,4)11(13-7-2)10-8-14-15(5)9-10/h8-9,11,13H,6-7H2,1-5H3
InChIKeyOXZRSPXCTCWKDL-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492399
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 79051106
2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497251
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 65195392
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497243
2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine
CID 79062553
2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 116758712
N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine
CID 114282093
2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetonitrile
CID 43115049
N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61332232
N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808792

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine (CID 115808764) is N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine is CCNC(c1cnn(C)c1)C(C)(C)CC.
What is the InChIKey of N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine?
The InChIKey is OXZRSPXCTCWKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-12(3,4)11(13-7-2)10-8-14-15(5)9-10/h8-9,11,13H,6-7H2,1-5H3.
What are the key properties of N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine?
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 115808764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).