N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine

C18H33N3 — CID 64777399

IUPACN-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine
SMILESCC(CCc1ccn(C2CCCCC2)n1)CNC(C)(C)C
InChIInChI=1S/C18H33N3/c1-15(14-19-18(2,3)4)10-11-16-12-13-21(20-16)17-8-6-5-7-9-17/h12-13,15,17,19H,5-11,14H2,1-4H3
InChIKeyRGAKAUBKSBMYRE-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.35
Rot. Bonds6

About N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine

N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine (PubChem CID 64777399) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine
PubChem CID64777399
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine
SMILESCC(CCc1ccn(C2CCCCC2)n1)CNC(C)(C)C
InChIInChI=1S/C18H33N3/c1-15(14-19-18(2,3)4)10-11-16-12-13-21(20-16)17-8-6-5-7-9-17/h12-13,15,17,19H,5-11,14H2,1-4H3
InChIKeyRGAKAUBKSBMYRE-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine
CID 64777209
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 64777700
N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82870521
3-(3-chloro-4,4-dimethylpentyl)-1-cyclopentylpyrazole
CID 64779835
3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole
CID 64777282
4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012869
1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
CID 64785365
N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine
CID 114899185
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 64778088
N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one
CID 64777572
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine (CID 64777399) is N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine is CC(CCc1ccn(C2CCCCC2)n1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine?
The InChIKey is RGAKAUBKSBMYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-15(14-19-18(2,3)4)10-11-16-12-13-21(20-16)17-8-6-5-7-9-17/h12-13,15,17,19H,5-11,14H2,1-4H3.
What are the key properties of N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine?
N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 64777399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).