2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine

C14H27N3 — CID 103460633

IUPAC2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
SMILESCCC(C)(C)CNC(C)c1c(C)nn(C)c1C
InChIInChI=1S/C14H27N3/c1-8-14(5,6)9-15-10(2)13-11(3)16-17(7)12(13)4/h10,15H,8-9H2,1-7H3
InChIKeyGHHGELVHZAKQJA-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.12
Rot. Bonds5

About 2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine

2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine (PubChem CID 103460633) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
PubChem CID103460633
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
SMILESCCC(C)(C)CNC(C)c1c(C)nn(C)c1C
InChIInChI=1S/C14H27N3/c1-8-14(5,6)9-15-10(2)13-11(3)16-17(7)12(13)4/h10,15H,8-9H2,1-7H3
InChIKeyGHHGELVHZAKQJA-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115726066
2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 62692855
3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293722
3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776530
3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103783108
N-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 82719907
2-chloro-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]prop-2-en-1-amine
CID 115891116
5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 107270383
N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 103903763
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 113348518
2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide
CID 114153544
2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758170

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine (CID 103460633) is 2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine is CCC(C)(C)CNC(C)c1c(C)nn(C)c1C.
What is the InChIKey of 2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine?
The InChIKey is GHHGELVHZAKQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-8-14(5,6)9-15-10(2)13-11(3)16-17(7)12(13)4/h10,15H,8-9H2,1-7H3.
What are the key properties of 2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine?
2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine is sourced from PubChem (CID 103460633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).