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

C17H29N3 — CID 60961900

IUPAC4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2ccnc(C)n2)CC1
InChIInChI=1S/C17H29N3/c1-5-17(3,4)14-6-8-15(9-7-14)19-12-16-10-11-18-13(2)20-16/h10-11,14-15,19H,5-9,12H2,1-4H3
InChIKeyIMGWLDVBYZZUCI-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.87
Rot. Bonds5

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

4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine (PubChem CID 60961900) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
PubChem CID60961900
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2ccnc(C)n2)CC1
InChIInChI=1S/C17H29N3/c1-5-17(3,4)14-6-8-15(9-7-14)19-12-16-10-11-18-13(2)20-16/h10-11,14-15,19H,5-9,12H2,1-4H3
InChIKeyIMGWLDVBYZZUCI-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 62748227
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
CID 65069995
9-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471994
4-(2-methylbutan-2-yl)-N-(1,2-oxazol-5-ylmethyl)cyclohexan-1-amine
CID 103605629
N-[(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43224673
trans-(1R,2R)-2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentan-1-ol
CID 93444311
4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 43435287
3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine
CID 61016617
4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224675
N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63424145
N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114555002

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine (CID 60961900) is 4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine is CCC(C)(C)C1CCC(NCc2ccnc(C)n2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is IMGWLDVBYZZUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-17(3,4)14-6-8-15(9-7-14)19-12-16-10-11-18-13(2)20-16/h10-11,14-15,19H,5-9,12H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 60961900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).