N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine

C13H25N3 — CID 115712805

IUPACN-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCCn1cc(C(C)NCCC(C)(C)C)cn1
InChIInChI=1S/C13H25N3/c1-6-16-10-12(9-15-16)11(2)14-8-7-13(3,4)5/h9-11,14H,6-8H2,1-5H3
InChIKeyFTRVQAIFVKEOLU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.99
Rot. Bonds5

About N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine

N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 115712805) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
PubChem CID115712805
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCCn1cc(C(C)NCCC(C)(C)C)cn1
InChIInChI=1S/C13H25N3/c1-6-16-10-12(9-15-16)11(2)14-8-7-13(3,4)5/h9-11,14H,6-8H2,1-5H3
InChIKeyFTRVQAIFVKEOLU-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(3,3-dimethylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 55109172
N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115725978
3-cyclopropyl-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115890826
3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115704376
1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 113261870
N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859460
(1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine
CID 164632644
tert-butyl N-[3-[1-(1-ethylpyrazol-4-yl)ethylamino]-2,2-difluoropropyl]carbamate
CID 104955560
1-(1-ethylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901633
3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-1-amine
CID 63438479
1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106392043
2-N-cyclopropyl-1-N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-N-methylpropane-1,2-diamine
CID 113261232

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine (CID 115712805) is N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine is CCn1cc(C(C)NCCC(C)(C)C)cn1.
What is the InChIKey of N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is FTRVQAIFVKEOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-16-10-12(9-15-16)11(2)14-8-7-13(3,4)5/h9-11,14H,6-8H2,1-5H3.
What are the key properties of N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine?
N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 115712805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).