4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine

C16H27N3 — CID 62845689

IUPAC4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
SMILESCc1cnc(CNC2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H27N3/c1-12-9-18-15(10-17-12)11-19-14-7-5-13(6-8-14)16(2,3)4/h9-10,13-14,19H,5-8,11H2,1-4H3
InChIKeyWPNCMHKJAVPAAP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.48
Rot. Bonds3

About 4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine

4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine (PubChem CID 62845689) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
PubChem CID62845689
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
SMILESCc1cnc(CNC2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H27N3/c1-12-9-18-15(10-17-12)11-19-14-7-5-13(6-8-14)16(2,3)4/h9-10,13-14,19H,5-8,11H2,1-4H3
InChIKeyWPNCMHKJAVPAAP-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine (CID 62845689) is 4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine is Cc1cnc(CNC2CCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of 4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is WPNCMHKJAVPAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-9-18-15(10-17-12)11-19-14-7-5-13(6-8-14)16(2,3)4/h9-10,13-14,19H,5-8,11H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine?
4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62845689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).