N-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine

C16H31N3O — CID 105185140

IUPACN-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine
SMILESCCNC(CCc1c(C)nn(C)c1C)C(C)CCOC
InChIInChI=1S/C16H31N3O/c1-7-17-16(12(2)10-11-20-6)9-8-15-13(3)18-19(5)14(15)4/h12,16-17H,7-11H2,1-6H3
InChIKeyKNLPRIFSVFCUCU-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.62
Rot. Bonds9

About N-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine

N-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine (PubChem CID 105185140) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine
PubChem CID105185140
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine
SMILESCCNC(CCc1c(C)nn(C)c1C)C(C)CCOC
InChIInChI=1S/C16H31N3O/c1-7-17-16(12(2)10-11-20-6)9-8-15-13(3)18-19(5)14(15)4/h12,16-17H,7-11H2,1-6H3
InChIKeyKNLPRIFSVFCUCU-UHFFFAOYSA-N
XLogP2.62
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-yl]hydrazine
CID 105338046
N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine
CID 105078315
1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 43180580
N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine
CID 107011559
N-ethyl-1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105155988
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
7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine
CID 105177156
N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine
CID 103029407
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 102653559
1-(cyclohepten-1-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 106657201

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine?
The IUPAC name of N-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine (CID 105185140) is N-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine is CCNC(CCc1c(C)nn(C)c1C)C(C)CCOC.
What is the InChIKey of N-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine?
The InChIKey is KNLPRIFSVFCUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-7-17-16(12(2)10-11-20-6)9-8-15-13(3)18-19(5)14(15)4/h12,16-17H,7-11H2,1-6H3.
What are the key properties of N-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine?
N-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine has a molecular weight of 281.44 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine is sourced from PubChem (CID 105185140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).