N-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine

C14H27N3O — CID 103012395

IUPACN-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine
SMILESCCNC(CCc1ccnn1C)C(C)(CC)OC
InChIInChI=1S/C14H27N3O/c1-6-14(3,18-5)13(15-7-2)9-8-12-10-11-16-17(12)4/h10-11,13,15H,6-9H2,1-5H3
InChIKeyZTHSZVZFKFJNCT-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.15
Rot. Bonds8

About N-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine

N-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine (PubChem CID 103012395) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine
PubChem CID103012395
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine
SMILESCCNC(CCc1ccnn1C)C(C)(CC)OC
InChIInChI=1S/C14H27N3O/c1-6-14(3,18-5)13(15-7-2)9-8-12-10-11-16-17(12)4/h10-11,13,15H,6-9H2,1-5H3
InChIKeyZTHSZVZFKFJNCT-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103012429
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine
CID 103030436
4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103012292
1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010387
N-ethyl-1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009870
N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014774
1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103012610
4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
CID 103011051
1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103149610
4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
CID 103011097
N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine
CID 103004349

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine?
The IUPAC name of N-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine (CID 103012395) is N-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine is CCNC(CCc1ccnn1C)C(C)(CC)OC.
What is the InChIKey of N-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine?
The InChIKey is ZTHSZVZFKFJNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-14(3,18-5)13(15-7-2)9-8-12-10-11-16-17(12)4/h10-11,13,15H,6-9H2,1-5H3.
What are the key properties of N-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine?
N-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine has a molecular weight of 253.39 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine is sourced from PubChem (CID 103012395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).