N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine

C18H33N3 — CID 103015974

IUPACN-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine
SMILESCCNC1CC(C)CCC1C(C)(C)CCc1cnn(C)c1
InChIInChI=1S/C18H33N3/c1-6-19-17-11-14(2)7-8-16(17)18(3,4)10-9-15-12-20-21(5)13-15/h12-14,16-17,19H,6-11H2,1-5H3
InChIKeyPUSGPCBFMXLVFR-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.79
Rot. Bonds6

About N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine

N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine (PubChem CID 103015974) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine
PubChem CID103015974
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine
SMILESCCNC1CC(C)CCC1C(C)(C)CCc1cnn(C)c1
InChIInChI=1S/C18H33N3/c1-6-19-17-11-14(2)7-8-16(17)18(3,4)10-9-15-12-20-21(5)13-15/h12-14,16-17,19H,6-11H2,1-5H3
InChIKeyPUSGPCBFMXLVFR-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine
CID 64767394
N-ethyl-4-methyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127469
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
CID 115653177
1-methyl-4-propylpyrazole;propane
CID 155742221
N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine
CID 64766683
N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
CID 106469390
2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014422
N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014439
N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine
CID 62724831
N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine
CID 62610534
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine
CID 64766235

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine (CID 103015974) is N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine is CCNC1CC(C)CCC1C(C)(C)CCc1cnn(C)c1.
What is the InChIKey of N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine?
The InChIKey is PUSGPCBFMXLVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-19-17-11-14(2)7-8-16(17)18(3,4)10-9-15-12-20-21(5)13-15/h12-14,16-17,19H,6-11H2,1-5H3.
What are the key properties of N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine?
N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 103015974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).