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

C17H31N3 — CID 64767394

IUPACN-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine
SMILESCCNC1CC(C)CCC1C(C)(C)Cc1cnn(C)c1
InChIInChI=1S/C17H31N3/c1-6-18-16-9-13(2)7-8-15(16)17(3,4)10-14-11-19-20(5)12-14/h11-13,15-16,18H,6-10H2,1-5H3
InChIKeyKKPVGZQJUUEZDM-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.40
Rot. Bonds5

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

N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine (PubChem CID 64767394) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine
PubChem CID64767394
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine
SMILESCCNC1CC(C)CCC1C(C)(C)Cc1cnn(C)c1
InChIInChI=1S/C17H31N3/c1-6-18-16-9-13(2)7-8-15(16)17(3,4)10-14-11-19-20(5)12-14/h11-13,15-16,18H,6-10H2,1-5H3
InChIKeyKKPVGZQJUUEZDM-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine
CID 103015974
N-ethyl-4-methyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127469
5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one
CID 64764987
N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
CID 106469390
2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine
CID 64764067
N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine
CID 62724831
N-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-amine
CID 64909644
N-ethyl-5-methyl-2-[2-(4-methylphenyl)propan-2-yl]cyclohexan-1-amine
CID 64767391
N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine
CID 55041287
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
CID 115653177
1-(cyclopropylamino)-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038933
N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine
CID 62610534

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine (CID 64767394) is N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine is CCNC1CC(C)CCC1C(C)(C)Cc1cnn(C)c1.
What is the InChIKey of N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine?
The InChIKey is KKPVGZQJUUEZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-18-16-9-13(2)7-8-15(16)17(3,4)10-14-11-19-20(5)12-14/h11-13,15-16,18H,6-10H2,1-5H3.
What are the key properties of N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine?
N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.40, 5 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-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 64767394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).