N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C17H31N3 — CID 114555002

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCn1nccc1CNC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C17H31N3/c1-5-17(3,4)14-7-9-15(10-8-14)18-13-16-11-12-19-20(16)6-2/h11-12,14-15,18H,5-10,13H2,1-4H3
InChIKeyLRWUADAZYIJEEU-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.99
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine

N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 114555002) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID114555002
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCn1nccc1CNC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C17H31N3/c1-5-17(3,4)14-7-9-15(10-8-14)18-13-16-11-12-19-20(16)6-2/h11-12,14-15,18H,5-10,13H2,1-4H3
InChIKeyLRWUADAZYIJEEU-UHFFFAOYSA-N
XLogP3.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 43435287
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 115761677
4-(2-methylbutan-2-yl)-N-(1,2-oxazol-5-ylmethyl)cyclohexan-1-amine
CID 103605629
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 115761672
N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113334912
N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine
CID 126835878
N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 65178386
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 115762067
4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555646
N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63424145
N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 75525238

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 114555002) is N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCn1nccc1CNC1CCC(C(C)(C)CC)CC1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is LRWUADAZYIJEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-17(3,4)14-7-9-15(10-8-14)18-13-16-11-12-19-20(16)6-2/h11-12,14-15,18H,5-10,13H2,1-4H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 114555002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).