4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine

C15H25N3 — CID 116899132

IUPAC4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2nccc(C(C)(C)C)n2)CC1
InChIInChI=1S/C15H25N3/c1-15(2,3)13-9-10-17-14(18-13)11-5-7-12(16-4)8-6-11/h9-12,16H,5-8H2,1-4H3
InChIKeyVMLCTLZIQDWKBP-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.02
Rot. Bonds2

About 4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine

4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine (PubChem CID 116899132) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine
PubChem CID116899132
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2nccc(C(C)(C)C)n2)CC1
InChIInChI=1S/C15H25N3/c1-15(2,3)13-9-10-17-14(18-13)11-5-7-12(16-4)8-6-11/h9-12,16H,5-8H2,1-4H3
InChIKeyVMLCTLZIQDWKBP-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine (CID 116899132) is 4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine is CNC1CCC(c2nccc(C(C)(C)C)n2)CC1.
What is the InChIKey of 4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine?
The InChIKey is VMLCTLZIQDWKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,3)13-9-10-17-14(18-13)11-5-7-12(16-4)8-6-11/h9-12,16H,5-8H2,1-4H3.
What are the key properties of 4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine?
4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116899132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).