2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine

C16H29N3O — CID 103131463

IUPAC2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(c1ccn(C)n1)C(OCC)C1CCCCC1
InChIInChI=1S/C16H29N3O/c1-4-17-15(14-11-12-19(3)18-14)16(20-5-2)13-9-7-6-8-10-13/h11-13,15-17H,4-10H2,1-3H3
InChIKeyIPONTHLUTDNYPD-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.06
Rot. Bonds7

About 2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine

2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 103131463) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
PubChem CID103131463
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(c1ccn(C)n1)C(OCC)C1CCCCC1
InChIInChI=1S/C16H29N3O/c1-4-17-15(14-11-12-19(3)18-14)16(20-5-2)13-9-7-6-8-10-13/h11-13,15-17H,4-10H2,1-3H3
InChIKeyIPONTHLUTDNYPD-UHFFFAOYSA-N
XLogP3.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-1-amine
CID 103131371
[2-cyclohexyl-2-methoxy-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 103140704
2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 116772422
2-cyclohexyl-2-ethoxy-N-ethyl-1-(furan-2-yl)ethanamine
CID 116772365
1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 116723587
2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 116723659
cyclopentyl-(1-methylpyrazol-3-yl)methanol
CID 65195941
2-cyclopropyl-2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 116723795
2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103131385
[2-cyclohexyl-2-ethoxy-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105278818
1-[ethylamino-(1-methylpyrazol-3-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 103131095
N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine
CID 103135118

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine (CID 103131463) is 2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine is CCNC(c1ccn(C)n1)C(OCC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is IPONTHLUTDNYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-17-15(14-11-12-19(3)18-14)16(20-5-2)13-9-7-6-8-10-13/h11-13,15-17H,4-10H2,1-3H3.
What are the key properties of 2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine?
2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 279.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 103131463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).