(1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine

C17H31N3 — CID 81391838

IUPAC(1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
SMILESCc1nn(C)c(C)c1C(C)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C17H31N3/c1-12(16-10-8-6-7-9-11-16)18-13(2)17-14(3)19-20(5)15(17)4/h12-13,16,18H,6-11H2,1-5H3/t12-,13?/m1/s1
InChIKeyIXFNPFFJBPOJTJ-PZORYLMUSA-N
MW277.46 g/mol
LogP4.05
Rot. Bonds4

About (1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine

(1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine (PubChem CID 81391838) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is (1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
PubChem CID81391838
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name(1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
SMILESCc1nn(C)c(C)c1C(C)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C17H31N3/c1-12(16-10-8-6-7-9-11-16)18-13(2)17-14(3)19-20(5)15(17)4/h12-13,16,18H,6-11H2,1-5H3/t12-,13?/m1/s1
InChIKeyIXFNPFFJBPOJTJ-PZORYLMUSA-N
XLogP4.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776530
[cyclobutyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105340101
1-cyclohexyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 62405192
2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103781504
1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95293835
1-cyclohexyl-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757760
3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066726
(1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81390319
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine
CID 28515838
cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105105459
[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 115892930

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine (CID 81391838) is (1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine is Cc1nn(C)c(C)c1C(C)N[C@H](C)C1CCCCCC1.
What is the InChIKey of (1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine?
The InChIKey is IXFNPFFJBPOJTJ-PZORYLMUSA-N. The full InChI is InChI=1S/C17H31N3/c1-12(16-10-8-6-7-9-11-16)18-13(2)17-14(3)19-20(5)15(17)4/h12-13,16,18H,6-11H2,1-5H3/t12-,13?/m1/s1.
What are the key properties of (1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine?
(1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine has a molecular weight of 277.46 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 81391838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).