N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine

C16H29N3 — CID 65415353

IUPACN-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccnn1CC)C1CCCC(CC)C1
InChIInChI=1S/C16H29N3/c1-4-13-8-7-9-14(12-13)16(17-5-2)15-10-11-18-19(15)6-3/h10-11,13-14,16-17H,4-9,12H2,1-3H3
InChIKeyYKDGMNHLJKQLBZ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.77
Rot. Bonds6

About N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine

N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine (PubChem CID 65415353) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
PubChem CID65415353
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccnn1CC)C1CCCC(CC)C1
InChIInChI=1S/C16H29N3/c1-4-13-8-7-9-14(12-13)16(17-5-2)15-10-11-18-19(15)6-3/h10-11,13-14,16-17H,4-9,12H2,1-3H3
InChIKeyYKDGMNHLJKQLBZ-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 80603885
2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127
[(3-ethylcyclopentyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105233440
1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 105156073
[(2-ethylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105307255
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303
N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195064
N-[(2-ethylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 65404205
N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105156057
N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 115858055
N-[(3-ethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 65412612

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine (CID 65415353) is N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccnn1CC)C1CCCC(CC)C1.
What is the InChIKey of N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is YKDGMNHLJKQLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-13-8-7-9-14(12-13)16(17-5-2)15-10-11-18-19(15)6-3/h10-11,13-14,16-17H,4-9,12H2,1-3H3.
What are the key properties of N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine?
N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 65415353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).