N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine

C14H27N3 — CID 105078315

IUPACN-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine
SMILESCCNC(CCc1c(C)nn(C)c1C)C(C)C
InChIInChI=1S/C14H27N3/c1-7-15-14(10(2)3)9-8-13-11(4)16-17(6)12(13)5/h10,14-15H,7-9H2,1-6H3
InChIKeyZCLQYYNTNSMRQM-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.60
Rot. Bonds6

About N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine

N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine (PubChem CID 105078315) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine
PubChem CID105078315
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine
SMILESCCNC(CCc1c(C)nn(C)c1C)C(C)C
InChIInChI=1S/C14H27N3/c1-7-15-14(10(2)3)9-8-13-11(4)16-17(6)12(13)5/h10,14-15H,7-9H2,1-6H3
InChIKeyZCLQYYNTNSMRQM-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine
CID 105185140
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 79254884
6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine
CID 105127219
1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-ylhydrazine
CID 105281932
1-(1,3,5-trimethylpyrazol-4-yl)heptane-3,4-diol
CID 83930169
N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine
CID 107011559
[6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-yl]hydrazine
CID 105338046
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 102653559
N-ethyl-1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105155988
N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 79252559
1-(cyclohepten-1-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 106657201
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-3-amine
CID 105126410

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine?
The IUPAC name of N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine (CID 105078315) is N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine is CCNC(CCc1c(C)nn(C)c1C)C(C)C.
What is the InChIKey of N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine?
The InChIKey is ZCLQYYNTNSMRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-7-15-14(10(2)3)9-8-13-11(4)16-17(6)12(13)5/h10,14-15H,7-9H2,1-6H3.
What are the key properties of N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine?
N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine has a molecular weight of 237.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine is sourced from PubChem (CID 105078315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).