N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C18H33N3 — CID 65424963

IUPACN-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C(C)C)n1)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H33N3/c1-13(2)15-6-8-16(9-7-15)18(19-5)12-17-10-11-21(20-17)14(3)4/h10-11,13-16,18-19H,6-9,12H2,1-5H3
InChIKeyQULPKOLNGYVLLC-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.06
Rot. Bonds6

About N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 65424963) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID65424963
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C(C)C)n1)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H33N3/c1-13(2)15-6-8-16(9-7-15)18(19-5)12-17-10-11-21(20-17)14(3)4/h10-11,13-16,18-19H,6-9,12H2,1-5H3
InChIKeyQULPKOLNGYVLLC-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine with MolForge

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Related Compounds

N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105155745
N-[1-(3-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 65412777
1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987
1-cyclopropyl-N-ethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64772039
N,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773528
N,3-dimethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 114221982
[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine
CID 105255154
N-ethyl-1-(1-propan-2-ylpyrazol-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105154970
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200899
2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol
CID 105103437
[1-(5-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312801
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 65424963) is N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C(C)C)n1)C1CCC(C(C)C)CC1.
What is the InChIKey of N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is QULPKOLNGYVLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-13(2)15-6-8-16(9-7-15)18(19-5)12-17-10-11-21(20-17)14(3)4/h10-11,13-16,18-19H,6-9,12H2,1-5H3.
What are the key properties of N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 291.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 65424963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).