N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine

C14H27N3O — CID 105114560

IUPACN-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine
SMILESCCNC(CCC(C)OC)Cc1cnn(CC)c1
InChIInChI=1S/C14H27N3O/c1-5-15-14(8-7-12(3)18-4)9-13-10-16-17(6-2)11-13/h10-12,14-15H,5-9H2,1-4H3
InChIKeyLWRPAOAOGGRNFS-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.24
Rot. Bonds9

About N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine

N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine (PubChem CID 105114560) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine
PubChem CID105114560
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine
SMILESCCNC(CCC(C)OC)Cc1cnn(CC)c1
InChIInChI=1S/C14H27N3O/c1-5-15-14(8-7-12(3)18-4)9-13-10-16-17(6-2)11-13/h10-12,14-15H,5-9H2,1-4H3
InChIKeyLWRPAOAOGGRNFS-UHFFFAOYSA-N
XLogP2.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine
CID 105114746
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine
CID 62126755
N-ethyl-1-(5-ethyl-2-pyridinyl)-5-methoxyhexan-2-amine
CID 105168893
1-(1-ethylpyrazol-4-yl)-N-propyldecan-2-amine
CID 115822163
1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 62126268
N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine
CID 62126621
N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine
CID 103569367
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
[1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025218
3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529282
N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65049198
1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 66142724

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine?
The IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine (CID 105114560) is N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine?
The canonical SMILES for N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine is CCNC(CCC(C)OC)Cc1cnn(CC)c1.
What is the InChIKey of N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine?
The InChIKey is LWRPAOAOGGRNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-15-14(8-7-12(3)18-4)9-13-10-16-17(6-2)11-13/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine?
N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine is sourced from PubChem (CID 105114560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).