N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine

C13H25N3 — CID 103014774

IUPACN,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
SMILESCNCC(CCc1ccnn1C)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-13(2,3)11(10-14-4)6-7-12-8-9-15-16(12)5/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyQEXHDYJNUQEPPZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.23
Rot. Bonds5

About N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine

N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine (PubChem CID 103014774) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
PubChem CID103014774
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
SMILESCNCC(CCc1ccnn1C)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-13(2,3)11(10-14-4)6-7-12-8-9-15-16(12)5/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyQEXHDYJNUQEPPZ-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014785
N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014306
N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine
CID 103004349
1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103017776
5-(5-bromo-6,6-dimethylheptyl)-1-methylpyrazole
CID 103016073
2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014738
2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013811
N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine
CID 103019984
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine
CID 103019834
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
The IUPAC name of N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine (CID 103014774) is N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
The canonical SMILES for N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine is CNCC(CCc1ccnn1C)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
The InChIKey is QEXHDYJNUQEPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-13(2,3)11(10-14-4)6-7-12-8-9-15-16(12)5/h8-9,11,14H,6-7,10H2,1-5H3.
What are the key properties of N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine is sourced from PubChem (CID 103014774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).